methyl[1-(3-methylpyridin-2-yl)propan-2-yl](quinolin-4-ylmethyl)amine

• ChemBase编号: 677944
• 分子式: C20H23N3
• 平均质量: 305.41672
• 单一同位素质量: 305.18919775
• SMILES: C(c1ncccc1C)C(N(Cc1c2c(ncc1)cccc2)C)C
• Canonical SMILES: CC(N(Cc1ccnc2c1cccc2)C)Cc1ncccc1C
• InChI: InChI=1S/C20H23N3/c1-15-7-6-11-21-20(15)13-16(2)23(3)14-17-10-12-22-19-9-5-4-8-18(17)19/h4-12,16H,13-14H2,1-3H3
• InChIKey: JZVYMOXVSGXGQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[1-(3-methylpyridin-2-yl)propan-2-yl](quinolin-4-ylmethyl)amine
• IUPAC传统名: methyl[1-(3-methylpyridin-2-yl)propan-2-yl](quinolin-4-ylmethyl)amine
• 别名: N-methyl-1-(3-methylpyridin-2-yl)-N-(quinolin-4-ylmethyl)propan-2-amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.4155961
• LogD (pH = 7.4): 1.7040778
• Log P: 3.827579
• 摩尔折射率: 94.6149 cm^3
• 极化性: 38.18055 Å^3
• 极化表面积: 29.02 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.22
• LOG S: -1.87
• 极化表面积: 29.02 Å^2
• 可自由旋转的化学键: 5