N-methyl-2-(morpholin-3-yl)-N-(quinolin-2-ylmethyl)acetamide

• ChemBase编号: 507435
• 分子式: C17H21N3O2
• 平均质量: 299.36754
• 单一同位素质量: 299.16337693
• SMILES: C(=O)(CC1NCCOC1)N(Cc1nc2c(cc1)cccc2)C
• Canonical SMILES: O=C(N(Cc1ccc2c(n1)cccc2)C)CC1COCCN1
• InChI: InChI=1S/C17H21N3O2/c1-20(17(21)10-15-12-22-9-8-18-15)11-14-7-6-13-4-2-3-5-16(13)19-14/h2-7,15,18H,8-12H2,1H3
• InChIKey: ZGOPUVIYLHHRRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(morpholin-3-yl)-N-(quinolin-2-ylmethyl)acetamide
• IUPAC传统名: N-methyl-2-(morpholin-3-yl)-N-(quinolin-2-ylmethyl)acetamide
• 别名: N-methyl-2-(3-morpholinyl)-N-(2-quinolinylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.32581
• LogD (pH = 7.4): 0.395221
• Log P: 0.9673934
• 摩尔折射率: 83.8494 cm^3
• 极化性: 34.37954 Å^3
• 极化表面积: 54.46 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: 1
• Log P: -0.21
• LOG S: -2.51
• 极化表面积: 54.46 Å^2
• 可自由旋转的化学键: 4