dimethyl({2-[4-(2-methylquinoline-4-carbonyl)morpholin-2-yl]ethyl})amine

• ChemBase编号: 334964
• 分子式: C19H25N3O2
• 平均质量: 327.4207
• 单一同位素质量: 327.19467706
• SMILES: C(=O)(c1c2c(nc(c1)C)cccc2)N1CC(OCC1)CCN(C)C
• Canonical SMILES: CN(CCC1OCCN(C1)C(=O)c1cc(C)nc2c1cccc2)C
• InChI: InChI=1S/C19H25N3O2/c1-14-12-17(16-6-4-5-7-18(16)20-14)19(23)22-10-11-24-15(13-22)8-9-21(2)3/h4-7,12,15H,8-11,13H2,1-3H3
• InChIKey: SUCBFJKLGCWFHM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({2-[4-(2-methylquinoline-4-carbonyl)morpholin-2-yl]ethyl})amine
• IUPAC传统名: dimethyl({2-[4-(2-methylquinoline-4-carbonyl)morpholin-2-yl]ethyl})amine
• 别名: N,N-dimethyl-2-{4-[(2-methyl-4-quinolinyl)carbonyl]-2-morpholinyl}ethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.7854947
• LogD (pH = 7.4): -0.25464585
• Log P: 1.4801339
• 摩尔折射率: 95.0718 cm^3
• 极化性: 37.775547 Å^3
• 极化表面积: 45.67 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: 2.02
• LOG S: -2.2
• 极化表面积: 45.67 Å^2
• 可自由旋转的化学键: 3