N-methyl-2-phenyl-N-(quinolin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 437818
• 分子式: C25H20N4O
• 平均质量: 392.4525
• 单一同位素质量: 392.16371128
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(Cc1c2c(ncc1)cccc2)C
• Canonical SMILES: O=C(N(Cc1ccnc2c1cccc2)C)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C25H20N4O/c1-28(15-19-13-14-26-22-10-6-5-9-21(19)22)25(30)20-11-12-24-27-23(17-29(24)16-20)18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3
• InChIKey: UWCSQIAWEUKWAV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-phenyl-N-(quinolin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-methyl-2-phenyl-N-(quinolin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-methyl-2-phenyl-N-(quinolin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

Provided by Chembridge

• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 3
• 质子供体: 0
• Log P: 3.07
• LOG S: -5.79

JChem

• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.7532582
• LogD (pH = 7.4): 3.9693346
• Log P: 3.9727454
• 摩尔折射率: 118.1063 cm^3
• 极化性: 47.065506 Å^3
• 极化表面积: 50.5 Å^2