N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)naphthalene-1-carboxamide

• ChemBase编号: 554337
• 分子式: C32H31N3O5
• 平均质量: 537.60564
• 单一同位素质量: 537.22637111
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)CN(C(=O)c1c2c(ccc1)cccc2)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)c1cccc3c1cccc3)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C32H31N3O5/c1-37-28-12-13-29(38-2)30-27(28)19-23(31(33-30)34-14-17-39-18-15-34)20-35(21-24-9-6-16-40-24)32(36)26-11-5-8-22-7-3-4-10-25(22)26/h3-13,16,19H,14-15,17-18,20-21H2,1-2H3
• InChIKey: IOGCCANZYXDJKY-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)naphthalene-1-carboxamide
• IUPAC传统名: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)naphthalene-1-carboxamide
• 别名: N-{[5,8-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-1-naphthamide

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.074691
• LogD (pH = 7.4): 5.095943
• Log P: 5.096221
• 摩尔折射率: 153.6604 cm^3
• 极化性: 60.524513 Å^3
• 极化表面积: 77.27 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: 6
• 质子供体: 0
• Log P: 5.52
• LOG S: -5.57
• 极化表面积: 77.27 Å^2
• 可自由旋转的化学键: 6