{[6-(2-methoxyquinolin-3-yl)pyridin-3-yl]methyl}dimethylamine

• ChemBase编号: 825938
• 分子式: C18H19N3O
• 平均质量: 293.36296
• 单一同位素质量: 293.15281224
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1ncc(CN(C)C)cc1
• Canonical SMILES: COc1nc2ccccc2cc1c1ccc(cn1)CN(C)C
• InChI: InChI=1S/C18H19N3O/c1-21(2)12-13-8-9-17(19-11-13)15-10-14-6-4-5-7-16(14)20-18(15)22-3/h4-11H,12H2,1-3H3
• InChIKey: CHKFOZHGYVQIKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[6-(2-methoxyquinolin-3-yl)pyridin-3-yl]methyl}dimethylamine
• IUPAC传统名: {[6-(2-methoxyquinolin-3-yl)pyridin-3-yl]methyl}dimethylamine
• 别名: 1-[6-(2-methoxyquinolin-3-yl)pyridin-3-yl]-N,N-dimethylmethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.67170054
• LogD (pH = 7.4): 2.4458299
• Log P: 3.3244867
• 摩尔折射率: 87.906 cm^3
• 极化性: 36.706066 Å^3
• 极化表面积: 38.25 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.83
• LOG S: -2.75
• 极化表面积: 38.25 Å^2
• 可自由旋转的化学键: 4