N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,5,7-trimethylquinoline-4-carboxamide

• ChemBase编号: 695289
• 分子式: C20H22N4O
• 平均质量: 334.41488
• 单一同位素质量: 334.17936134
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c2c(nc(c1)C)cc(cc2C)C
• Canonical SMILES: Cc1nc2cc(C)cc(c2c(c1)C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C20H22N4O/c1-12-8-13(2)19-15(10-14(3)22-16(19)9-12)20(25)23-18-11-21-17-6-4-5-7-24(17)18/h8-11H,4-7H2,1-3H3,(H,23,25)
• InChIKey: AZWIYNIWEJSZNG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,5,7-trimethylquinoline-4-carboxamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,5,7-trimethylquinoline-4-carboxamide
• 别名: 2,5,7-trimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinoline-4-carboxamide

理论计算性质

JChem

• Acid pKa: 13.336883
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.7026937
• LogD (pH = 7.4): 3.3414776
• Log P: 3.3701317
• 摩尔折射率: 99.2285 cm^3
• 极化性: 38.151363 Å^3
• 极化表面积: 59.81 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.29
• LOG S: -4.45
• 极化表面积: 59.81 Å^2
• 可自由旋转的化学键: 2