N,2-dimethyl-3-(morpholin-4-yl)-N-(quinolin-6-ylmethyl)propanamide

• ChemBase编号: 682418
• 分子式: C19H25N3O2
• 平均质量: 327.4207
• 单一同位素质量: 327.19467706
• SMILES: C(=O)(C(CN1CCOCC1)C)N(Cc1cc2c(nccc2)cc1)C
• Canonical SMILES: O=C(N(Cc1ccc2c(c1)cccn2)C)C(CN1CCOCC1)C
• InChI: InChI=1S/C19H25N3O2/c1-15(13-22-8-10-24-11-9-22)19(23)21(2)14-16-5-6-18-17(12-16)4-3-7-20-18/h3-7,12,15H,8-11,13-14H2,1-2H3
• InChIKey: FPIXTOUUANTTTF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dimethyl-3-(morpholin-4-yl)-N-(quinolin-6-ylmethyl)propanamide
• IUPAC传统名: N,2-dimethyl-3-(morpholin-4-yl)-N-(quinolin-6-ylmethyl)propanamide
• 别名: N,2-dimethyl-3-morpholin-4-yl-N-(quinolin-6-ylmethyl)propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.32678708
• LogD (pH = 7.4): 1.3645625
• Log P: 1.7521887
• 摩尔折射率: 94.5706 cm^3
• 极化性: 38.068256 Å^3
• 极化表面积: 45.67 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: 4
• 质子供体: 0
• Log P: 1.0
• LOG S: -2.44
• 极化表面积: 45.67 Å^2
• 可自由旋转的化学键: 5