3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl)

Modify Date: 2025-09-11 00:29:59

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure
3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) structure
Common Name 3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl)
CAS Number 35975-86-1 Molecular Weight 279.29000
Density 1.358g/cm3 Boiling Point 459.1ºC at 760mmHg
Molecular Formula C17H13NO3 Melting Point N/A
MSDS N/A Flash Point 231.5ºC

 Names

Name 1-benzyl-4-oxoquinoline-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.358g/cm3
Boiling Point 459.1ºC at 760mmHg
Molecular Formula C17H13NO3
Molecular Weight 279.29000
Flash Point 231.5ºC
Exact Mass 279.09000
PSA 59.30000
LogP 2.74800
Index of Refraction 1.671
InChIKey CCWROOWBCZEPAQ-UHFFFAOYSA-N
SMILES O=C(O)c1cn(Cc2ccccc2)c2ccccc2c1=O

 Synthetic Route

~75%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Stern, Eric; Muccioli, Giulio G.; Bosier, Barbara; Hamtiaux, Laurie; Millet, Regis; Poupaert, Jacques H.; Henichart, Jean-Pierre; Depreux, Patrick; Goossens, Jean-Francois; Lambert, Didier M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 22 p. 5471 - 5484

~%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Sayyed; Panse; Bhawal; Deshmukh Synthetic Communications, 2000 , vol. 30, # 14 p. 2533 - 2540

~%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Stern, Eric; Muccioli, Giulio G.; Millet, Regis; Goossens, Jean-Francois; Farce, Amaury; Chavatte, Philippe; Poupaert, Jacques H.; Lambert, Didier M.; Depreux, Patrick; Henichart, Jean-Pierre Journal of Medicinal Chemistry, 2006 , vol. 49, # 1 p. 70 - 79

~%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Stern, Eric; Muccioli, Giulio G.; Millet, Regis; Goossens, Jean-Francois; Farce, Amaury; Chavatte, Philippe; Poupaert, Jacques H.; Lambert, Didier M.; Depreux, Patrick; Henichart, Jean-Pierre Journal of Medicinal Chemistry, 2006 , vol. 49, # 1 p. 70 - 79

~%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Sayyed; Panse; Bhawal; Deshmukh Synthetic Communications, 2000 , vol. 30, # 14 p. 2533 - 2540

~%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Sayyed; Panse; Bhawal; Deshmukh Synthetic Communications, 2000 , vol. 30, # 14 p. 2533 - 2540

~%

3-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-1-(phenylmethyl) Structure

3-Quinolinecarb...

CAS#:35975-86-1

Literature: Bohnert, Sabine; Guendel, Wolf-H. Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1987 , vol. 42, # 9 p. 1159 - 1166

 Bioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

1-benzyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acide
1-benzyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
N-Benzyl-4-oxo-3-chinolincarbonsaeure
1-benzyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
1-Benzyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
1-benzyl-3-quinolinecarboxylic acid-4-one
1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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