3-heptyl-2-methyl-1H-quinolin-4-one

Modify Date: 2025-08-26 12:57:25

3-heptyl-2-methyl-1H-quinolin-4-one Structure
3-heptyl-2-methyl-1H-quinolin-4-one structure
Common Name 3-heptyl-2-methyl-1H-quinolin-4-one
CAS Number 36970-34-0 Molecular Weight 257.37100
Density 0.996g/cm3 Boiling Point 372.5ºC at 760 mmHg
Molecular Formula C17H23NO Melting Point N/A
MSDS N/A Flash Point 123.2ºC

 Names

Name 2-methyl-2,3-epoxydecane
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.996g/cm3
Boiling Point 372.5ºC at 760 mmHg
Molecular Formula C17H23NO
Molecular Weight 257.37100
Flash Point 123.2ºC
Exact Mass 257.17800
PSA 32.86000
LogP 4.34940
Index of Refraction 1.521
InChIKey HJFZIOAIPXNRBX-UHFFFAOYSA-N
SMILES CCCCCCCc1c(C)[nH]c2ccccc2c1=O

 Synthetic Route

~70%

3-heptyl-2-methyl-1H-quinolin-4-one Structure

3-heptyl-2-meth...

CAS#:36970-34-0

Literature: Cross, R. Matthew; Monastyrskyi, Andrii; Mutka, Tina S.; Burrows, Jeremy N.; Kyle, Dennis E.; Manetsch, Roman Journal of Medicinal Chemistry, 2010 , vol. 53, # 19 p. 7076 - 7094

 Precursor & DownStream

Precursor  1

DownStream  0

 3-heptyl-2-methyl-1H-quinolin-4-oneBioassay

View more

Name: ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania ...
Source: ChEMBL
Target: Glucose transporter
External Id: CHEMBL3436044
Name: Resistant index. ratio of EC50 for chloroquine, mefloquine, pyrimethamine and atovaqu...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1261024
Name: Antimalarial activity against chloroquine, mefloquine, pyrimethamine and atovaquone-r...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1261023
Name: ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania ...
Source: ChEMBL
Target: Solute carrier family 2, facilitated glucose transporter member 1
External Id: CHEMBL3436042
Name: ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania ...
Source: ChEMBL
Target: Hexose transporter 1
External Id: CHEMBL3436043
Name: Passive transcellular permeability of the compound at pH 4 by PAMPA
Source: ChEMBL
Target: N/A
External Id: CHEMBL1261031
Name: Passive transcellular permeability of the compound at pH 7.4 by PAMPA
Source: ChEMBL
Target: N/A
External Id: CHEMBL1261030
Name: Lipophilicity, log D of the compound at pH 7.4
Source: ChEMBL
Target: N/A
External Id: CHEMBL1261029
Name: Aqueous solubility of the compound at pH 7.4 by HPLC analysis
Source: ChEMBL
Target: N/A
External Id: CHEMBL1261028
Name: Cytotoxicity index, ratio of EC50 for mice (Mus musculus) J774 cells to EC50 for chlo...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1261027
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 Synonyms

Oxirane,3-heptyl-2,2-dimethyl
2-Methyl-3-n-heptyl-4(1H)-chinolon
3-heptyl-2,2-dimethyl-oxirane
3-heptyl-2-methylquinolin-4(1H)-one
3-heptyl-2-methyl-4(1H)-quinolone
3-heptyl-2-methyl-1H-quinolin-4-one
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