N-ethyl-2-(2-methoxyquinolin-3-yl)benzamide

• ChemBase编号: 693635
• 分子式: C19H18N2O2
• 平均质量: 306.35842
• 单一同位素质量: 306.13682783
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1c(C(=O)NCC)cccc1
• Canonical SMILES: CCNC(=O)c1ccccc1c1cc2ccccc2nc1OC
• InChI: InChI=1S/C19H18N2O2/c1-3-20-18(22)15-10-6-5-9-14(15)16-12-13-8-4-7-11-17(13)21-19(16)23-2/h4-12H,3H2,1-2H3,(H,20,22)
• InChIKey: DEENTCXSDOIGLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-(2-methoxyquinolin-3-yl)benzamide
• IUPAC传统名: N-ethyl-2-(2-methoxyquinolin-3-yl)benzamide
• 别名: N-ethyl-2-(2-methoxyquinolin-3-yl)benzamide

理论计算性质

JChem

• Acid pKa: 15.295413
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.6458988
• LogD (pH = 7.4): 3.6460347
• Log P: 3.6460364
• 摩尔折射率: 90.6159 cm^3
• 极化性: 37.012753 Å^3
• 极化表面积: 51.22 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.82
• LOG S: -3.84
• 极化表面积: 51.22 Å^2
• 可自由旋转的化学键: 4