N-methyl-2-(morpholin-4-yl)-N-(quinolin-5-ylmethyl)butanamide

• ChemBase编号: 613128
• 分子式: C19H25N3O2
• 平均质量: 327.4207
• 单一同位素质量: 327.19467706
• SMILES: C(=O)(N(Cc1c2c(nccc2)ccc1)C)C(N1CCOCC1)CC
• Canonical SMILES: CCC(C(=O)N(Cc1cccc2c1cccn2)C)N1CCOCC1
• InChI: InChI=1S/C19H25N3O2/c1-3-18(22-10-12-24-13-11-22)19(23)21(2)14-15-6-4-8-17-16(15)7-5-9-20-17/h4-9,18H,3,10-14H2,1-2H3
• InChIKey: UNKRJQLRUUPLBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(morpholin-4-yl)-N-(quinolin-5-ylmethyl)butanamide
• IUPAC传统名: N-methyl-2-(morpholin-4-yl)-N-(quinolin-5-ylmethyl)butanamide
• 别名: N-methyl-2-(4-morpholinyl)-N-(5-quinolinylmethyl)butanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1076161
• LogD (pH = 7.4): 2.0228274
• Log P: 2.0634763
• 摩尔折射率: 94.3146 cm^3
• 极化性: 38.069008 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: 1.44
• LOG S: -2.82
• 极化表面积: 45.67 Å^2
• 可自由旋转的化学键: 5