N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

• ChemBase编号: 435234
• 分子式: C35H35N3O5
• 平均质量: 577.6695
• 单一同位素质量: 577.25767124
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)CN(C(=O)C(c1ccccc1)c1ccccc1)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)C(c1ccccc1)c1ccccc1)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C35H35N3O5/c1-40-30-15-16-31(41-2)33-29(30)22-27(34(36-33)37-17-20-42-21-18-37)23-38(24-28-14-9-19-43-28)35(39)32(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-16,19,22,32H,17-18,20-21,23-24H2,1-2H3
• InChIKey: HKFLVNQKPWNSFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
• IUPAC传统名: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
• 别名: N-{[5,8-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-2,2-diphenylacetamide

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.742166
• LogD (pH = 7.4): 5.763422
• Log P: 5.7637
• 摩尔折射率: 165.9311 cm^3
• 极化性: 64.663536 Å^3
• 极化表面积: 77.27 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: 6
• 质子供体: 0
• Log P: 5.86
• LOG S: -5.15
• 极化表面积: 77.27 Å^2
• 可自由旋转的化学键: 8