N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl}-3-(2-methoxyphenyl)propanamide

• ChemBase编号: 761310
• 分子式: C32H34N2O4
• 平均质量: 510.62336
• 单一同位素质量: 510.25185758
• SMILES: c1(nc2c(cc1CN(C1CC1)C(=O)CCc1c(OC)cccc1)cccc2C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)c1nc2c(C)cccc2cc1CN(C(=O)CCc1ccccc1OC)C1CC1)OC
• InChI: InChI=1S/C32H34N2O4/c1-21-8-7-10-23-18-24(32(33-31(21)23)27-19-26(36-2)15-16-29(27)38-4)20-34(25-13-14-25)30(35)17-12-22-9-5-6-11-28(22)37-3/h5-11,15-16,18-19,25H,12-14,17,20H2,1-4H3
• InChIKey: YIVXFOAMUCUGNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl}-3-(2-methoxyphenyl)propanamide
• IUPAC传统名: N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl}-3-(2-methoxyphenyl)propanamide
• 别名: N-cyclopropyl-N-{[2-(2,5-dimethoxyphenyl)-8-methyl-3-quinolinyl]methyl}-3-(2-methoxyphenyl)propanamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 6.1163974
• LogD (pH = 7.4): 6.1171384
• Log P: 6.117148
• 摩尔折射率: 148.5223 cm^3
• 极化性: 60.23676 Å^3
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 5.03
• LOG S: -5.79
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 7