N-(1H-indol-5-yl)-2-methylquinoline-4-carboxamide

• ChemBase编号: 222313
• 分子式: C19H15N3O
• 平均质量: 301.3419
• 单一同位素质量: 301.12151212
• SMILES: C(=O)(c1c2c(nc(c1)C)cccc2)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: Cc1nc2ccccc2c(c1)C(=O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C19H15N3O/c1-12-10-16(15-4-2-3-5-18(15)21-12)19(23)22-14-6-7-17-13(11-14)8-9-20-17/h2-11,20H,1H3,(H,22,23)
• InChIKey: IMGGAFJNYUUWJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1H-indol-5-yl)-2-methylquinoline-4-carboxamide
• IUPAC传统名: N-(1H-indol-5-yl)-2-methylquinoline-4-carboxamide

登记号

• PubChem SID: 164278223
• PubChem CID: 39377933

理论计算性质

• 摩尔折射率: 91.1908 cm^3
• 极化性: 36.63063 Å^3
• 极化表面积: 57.78 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 11.184396
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.4525936
• LogD (pH = 7.4): 3.4528456
• Log P: 3.4529173

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds