1-[4-(8-methoxyquinolin-5-yl)phenyl]-2-(morpholin-4-yl)ethan-1-ol

• ChemBase编号: 348480
• 分子式: C22H24N2O3
• 平均质量: 364.43756
• 单一同位素质量: 364.17869264
• SMILES: c1(c2c(nccc2)c(cc1)OC)c1ccc(C(CN2CCOCC2)O)cc1
• Canonical SMILES: COc1ccc(c2c1nccc2)c1ccc(cc1)C(CN1CCOCC1)O
• InChI: InChI=1S/C22H24N2O3/c1-26-21-9-8-18(19-3-2-10-23-22(19)21)16-4-6-17(7-5-16)20(25)15-24-11-13-27-14-12-24/h2-10,20,25H,11-15H2,1H3
• InChIKey: PTZHJUUGFWDLRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[4-(8-methoxyquinolin-5-yl)phenyl]-2-(morpholin-4-yl)ethan-1-ol
• IUPAC传统名: 1-[4-(8-methoxyquinolin-5-yl)phenyl]-2-(morpholin-4-yl)ethanol
• 别名: 1-[4-(8-methoxyquinolin-5-yl)phenyl]-2-morpholin-4-ylethanol

理论计算性质

JChem

• Acid pKa: 14.08954
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.3448399
• LogD (pH = 7.4): 2.6048467
• Log P: 2.713016
• 摩尔折射率: 105.1584 cm^3
• 极化性: 43.631252 Å^3
• 极化表面积: 54.82 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: 2.28
• LOG S: -2.8
• 极化表面积: 54.82 Å^2
• 可自由旋转的化学键: 5