2-(2,5-dimethoxyphenyl)-8-methyl-3-(morpholin-4-ylmethyl)quinoline

• ChemBase编号: 776064
• 分子式: C23H26N2O3
• 平均质量: 378.46414
• 单一同位素质量: 378.1943427
• SMILES: c1(nc2c(cc1CN1CCOCC1)cccc2C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1nc2c(C)cccc2cc1CN1CCOCC1)OC
• InChI: InChI=1S/C23H26N2O3/c1-16-5-4-6-17-13-18(15-25-9-11-28-12-10-25)23(24-22(16)17)20-14-19(26-2)7-8-21(20)27-3/h4-8,13-14H,9-12,15H2,1-3H3
• InChIKey: QKBXHUJVWRFJEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dimethoxyphenyl)-8-methyl-3-(morpholin-4-ylmethyl)quinoline
• IUPAC传统名: 2-(2,5-dimethoxyphenyl)-8-methyl-3-(morpholin-4-ylmethyl)quinoline
• 别名: 2-(2,5-dimethoxyphenyl)-8-methyl-3-(4-morpholinylmethyl)quinoline

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.6337094
• LogD (pH = 7.4): 3.9558542
• Log P: 4.0849514
• 摩尔折射率: 110.3283 cm^3
• 极化性: 45.461647 Å^3
• 极化表面积: 43.82 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: 0
• Log P: 2.8
• LOG S: -3.34
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 5