2-(5-fluoroquinolin-8-yl)-6,7-dimethoxyquinazolin-4-amine

• ChemBase编号: 653791
• 分子式: C19H15FN4O2
• 平均质量: 350.3464032
• 单一同位素质量: 350.11790396
• SMILES: c1(nc(c2c(n1)cc(c(c2)OC)OC)N)c1c2c(c(cc1)F)cccn2
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)c1ccc(c2c1nccc2)F
• InChI: InChI=1S/C19H15FN4O2/c1-25-15-8-12-14(9-16(15)26-2)23-19(24-18(12)21)11-5-6-13(20)10-4-3-7-22-17(10)11/h3-9H,1-2H3,(H2,21,23,24)
• InChIKey: OZMRENKBRCSFIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5-fluoroquinolin-8-yl)-6,7-dimethoxyquinazolin-4-amine
• IUPAC传统名: 2-(5-fluoroquinolin-8-yl)-6,7-dimethoxyquinazolin-4-amine
• 别名: 2-(5-fluoroquinolin-8-yl)-6,7-dimethoxyquinazolin-4-amine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 3.339221
• LogD (pH = 7.4): 3.537499
• Log P: 3.540726
• 摩尔折射率: 106.2896 cm^3
• 极化性: 38.770195 Å^3
• 极化表面积: 83.15 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 1.25
• LOG S: -3.93
• 极化表面积: 83.15 Å^2
• 可自由旋转的化学键: 3