3-fluoro-2-methoxy-N-methyl-N-(quinolin-5-ylmethyl)benzamide

• ChemBase编号: 554024
• 分子式: C19H17FN2O2
• 平均质量: 324.3488832
• 单一同位素质量: 324.12740601
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)ccc2)C)c(c(F)ccc1)OC
• Canonical SMILES: COc1c(F)cccc1C(=O)N(Cc1cccc2c1cccn2)C
• InChI: InChI=1S/C19H17FN2O2/c1-22(19(23)15-7-4-9-16(20)18(15)24-2)12-13-6-3-10-17-14(13)8-5-11-21-17/h3-11H,12H2,1-2H3
• InChIKey: SFLFZNTVCQOPMY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-2-methoxy-N-methyl-N-(quinolin-5-ylmethyl)benzamide
• IUPAC传统名: 3-fluoro-2-methoxy-N-methyl-N-(quinolin-5-ylmethyl)benzamide
• 别名: 3-fluoro-2-methoxy-N-methyl-N-(quinolin-5-ylmethyl)benzamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1203132
• LogD (pH = 7.4): 3.1381638
• Log P: 3.1383967
• 摩尔折射率: 90.1433 cm^3
• 极化性: 35.213413 Å^3
• 极化表面积: 42.43 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: 3
• 质子供体: 0
• Log P: 2.55
• LOG S: -3.74
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 4