7-methoxy-N,4-dimethyl-N-[2-(morpholin-4-yl)propyl]quinazolin-2-amine

• ChemBase编号: 389955
• 分子式: C18H26N4O2
• 平均质量: 330.42464
• 单一同位素质量: 330.20557609
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N(CC(N1CCOCC1)C)C
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N(CC(N1CCOCC1)C)C
• InChI: InChI=1S/C18H26N4O2/c1-13(22-7-9-24-10-8-22)12-21(3)18-19-14(2)16-6-5-15(23-4)11-17(16)20-18/h5-6,11,13H,7-10,12H2,1-4H3
• InChIKey: GKLQKZPWGLOEMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methoxy-N,4-dimethyl-N-[2-(morpholin-4-yl)propyl]quinazolin-2-amine
• IUPAC传统名: 7-methoxy-N,4-dimethyl-N-[2-(morpholin-4-yl)propyl]quinazolin-2-amine
• 别名: 7-methoxy-N,4-dimethyl-N-(2-morpholin-4-ylpropyl)quinazolin-2-amine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.0061665
• LogD (pH = 7.4): 2.2912657
• Log P: 2.4023104
• 摩尔折射率: 95.7422 cm^3
• 极化性: 37.688637 Å^3
• 极化表面积: 50.72 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: 2.09
• LOG S: -2.39
• 极化表面积: 50.72 Å^2
• 可自由旋转的化学键: 5