2,4-二甲基喹啉-3-羧酸乙酯盐酸盐

• 常用名: 2,4-二甲基喹啉-3-羧酸乙酯盐酸盐
• 英文名: ETHYL 2,4-DIMETHYLQUINOLINE-3-CARBOXYLATE
• CAS号: 116270-38-3
• 分子量: 265.73500
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₄H₁₆ClNO₂
• 熔点: N/A
• 闪点: N/A

2,4-二甲基喹啉-3-羧酸乙酯盐酸盐名称

• 中文名: 2,4-二甲基喹啉-3-羧酸乙酯盐酸盐
• 英文名: ethyl 2,4-dimethylquinoline-3-carboxylate,hydrochloride

2,4-二甲基喹啉-3-羧酸乙酯盐酸盐物理化学性质

• 分子式: C₁₄H₁₆ClNO₂
• 分子量: 265.73500
• 精确质量: 265.08700
• PSA: 39.19000
• LogP: 3.83030
• InChIKey: JRROHGCYECMKPL-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1c(C)nc2ccccc2c1C.Cl
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积39.2

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:279

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

• 更多:

  1.沸点（1.0000 mm Hg,ºC）：106-108

2,4-二甲基喹啉-3-羧酸乙酯盐酸盐靶点实验

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实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：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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2,4-二甲基喹啉-3-羧酸乙酯盐酸盐英文别名

• 2,4-dimethyl-3-Quinolinecarboxylic acid ethyl ester hydrochloride
• 3-Quinolinecarboxylic acid,2,4-dimethyl-,ethyl ester,hydrochloride