3-fluoro-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 865838
• 分子式: C20H17FN4O2
• 平均质量: 364.3729832
• 单一同位素质量: 364.13355402
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1nc2n(c1F)cccc2)C
• InChI: InChI=1S/C20H17FN4O2/c1-24(20(26)18-19(21)25-11-4-3-7-16(25)23-18)12-13-8-9-15(27-2)17-14(13)6-5-10-22-17/h3-11H,12H2,1-2H3
• InChIKey: QFIQDEJRUDDUDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-N-[(8-methoxy-5-quinolinyl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.198807
• LogD (pH = 7.4): 2.1993084
• Log P: 2.1993148
• 摩尔折射率: 99.6042 cm^3
• 极化性: 38.19176 Å^3
• 极化表面积: 59.73 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: 1.26
• LOG S: -4.04
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 4