N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-4-methoxybenzamide

• ChemBase编号: 537092
• 分子式: C30H30N2O4
• 平均质量: 482.5702
• 单一同位素质量: 482.22055745
• SMILES: N(C(=O)c1ccc(cc1)OC)(Cc1c(nc2c(c1)ccc(c2)C)c1cc(c(cc1)OC)OC)C1CC1
• Canonical SMILES: COc1ccc(cc1)C(=O)N(C1CC1)Cc1cc2ccc(cc2nc1c1ccc(c(c1)OC)OC)C
• InChI: InChI=1S/C30H30N2O4/c1-19-5-6-21-16-23(18-32(24-10-11-24)30(33)20-7-12-25(34-2)13-8-20)29(31-26(21)15-19)22-9-14-27(35-3)28(17-22)36-4/h5-9,12-17,24H,10-11,18H2,1-4H3
• InChIKey: ILVHPLLTSPOZQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-4-methoxybenzamide
• IUPAC传统名: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-4-methoxybenzamide
• 别名: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methyl-3-quinolinyl]methyl}-4-methoxybenzamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.6801243
• LogD (pH = 7.4): 5.692257
• Log P: 5.692414
• 摩尔折射率: 139.8699 cm^3
• 极化性: 56.31285 Å^3
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 5.27
• LOG S: -4.83
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 5