{4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methanamine

• ChemBase编号: 584374
• 分子式: C17H23N3O2
• 平均质量: 301.38342
• 单一同位素质量: 301.17902699
• SMILES: n1c2c(cc(cc2)OCC)ccc1CN1CC(OCC1)CN
• Canonical SMILES: CCOc1ccc2c(c1)ccc(n2)CN1CCOC(C1)CN
• InChI: InChI=1S/C17H23N3O2/c1-2-21-15-5-6-17-13(9-15)3-4-14(19-17)11-20-7-8-22-16(10-18)12-20/h3-6,9,16H,2,7-8,10-12,18H2,1H3
• InChIKey: FKKQAJCPGMEFFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methanamine
• IUPAC传统名: {4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methanamine
• 别名: ({4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methyl)amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.7417297
• LogD (pH = 7.4): -0.6104127
• Log P: 1.3971887
• 摩尔折射率: 85.9061 cm^3
• 极化性: 35.385666 Å^3
• 极化表面积: 60.61 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: 1.99
• LOG S: -2.09
• 极化表面积: 60.61 Å^2
• 可自由旋转的化学键: 5