N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-3,4-dimethoxy-N-propylbenzamide

• ChemBase编号: 200072
• 分子式: C23H26N2O5
• 平均质量: 410.46294
• 单一同位素质量: 410.18417194
• SMILES: c1(c(nc2c(c1)cc(cc2)OC)O)CN(C(=O)c1cc(c(cc1)OC)OC)CCC
• Canonical SMILES: CCCN(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2cc(OC)ccc2nc1O
• InChI: InChI=1S/C23H26N2O5/c1-5-10-25(23(27)15-6-9-20(29-3)21(13-15)30-4)14-17-11-16-12-18(28-2)7-8-19(16)24-22(17)26/h6-9,11-13H,5,10,14H2,1-4H3,(H,24,26)
• InChIKey: OLQHCNZBHMUWSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-3,4-dimethoxy-N-propylbenzamide
• IUPAC传统名: N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-3,4-dimethoxy-N-propylbenzamide

登记号

• PubChem SID: 164255982
• PubChem CID: 1804901

理论计算性质

• Acid pKa: 11.381695
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 3.8505087
• LogD (pH = 7.4): 3.8505292
• Log P: 3.8505747
• 摩尔折射率: 114.4203 cm^3
• 极化性: 44.885418 Å^3
• 极化表面积: 81.12 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds