{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}dimethylamine

• ChemBase编号: 376307
• 分子式: C21H24N2O3
• 平均质量: 352.42686
• 单一同位素质量: 352.17869264
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C)C)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C)C)OC
• InChI: InChI=1S/C21H24N2O3/c1-23(2)13-14-12-16-18(25-4)10-11-19(26-5)21(16)22-20(14)15-8-6-7-9-17(15)24-3/h6-12H,13H2,1-5H3
• InChIKey: IXQXTOOZQAMSNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}dimethylamine
• IUPAC传统名: {[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}dimethylamine
• 别名: 1-[5,8-dimethoxy-2-(2-methoxyphenyl)-3-quinolinyl]-N,N-dimethylmethanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.3509579
• LogD (pH = 7.4): 1.8515402
• Log P: 3.632359
• 摩尔折射率: 102.6758 cm^3
• 极化性: 42.580627 Å^3
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.53
• LOG S: -3.78
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 6