N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-(morpholin-2-yl)acetamide

• ChemBase编号: 653767
• 分子式: C18H23N3O3
• 平均质量: 329.39352
• 单一同位素质量: 329.17394161
• SMILES: C(=O)(CC1OCCNC1)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)CC1CNCCO1)C
• InChI: InChI=1S/C18H23N3O3/c1-21(17(22)10-14-11-19-8-9-24-14)12-13-5-6-16(23-2)18-15(13)4-3-7-20-18/h3-7,14,19H,8-12H2,1-2H3
• InChIKey: KUDLGXHBVQEGLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-(morpholin-2-yl)acetamide
• IUPAC传统名: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-(morpholin-2-yl)acetamide
• 别名: N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -2.0388818
• LogD (pH = 7.4): -0.34962234
• Log P: 0.7282502
• 摩尔折射率: 90.8348 cm^3
• 极化性: 36.890926 Å^3
• 极化表面积: 63.69 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: 5
• 质子供体: 1
• Log P: -0.45
• LOG S: -2.53
• 极化表面积: 63.69 Å^2
• 可自由旋转的化学键: 5