furan-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

• ChemBase编号: 194880
• 分子式: C23H19NO5
• 平均质量: 389.40066
• 单一同位素质量: 389.12632271
• SMILES: c1(cc(nc2c1cccc2)c1cc(c(cc1)OC)OC)C(=O)OCc1occc1
• Canonical SMILES: COc1cc(ccc1OC)c1nc2ccccc2c(c1)C(=O)OCc1ccco1
• InChI: InChI=1S/C23H19NO5/c1-26-21-10-9-15(12-22(21)27-2)20-13-18(17-7-3-4-8-19(17)24-20)23(25)29-14-16-6-5-11-28-16/h3-13H,14H2,1-2H3
• InChIKey: DMXOKHJLBHVKEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furan-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
• IUPAC传统名: furan-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

登记号

• PubChem SID: 164250790
• PubChem CID: 1224196

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.6366043
• LogD (pH = 7.4): 4.6368275
• Log P: 4.6368303
• 摩尔折射率: 106.6987 cm^3
• 极化性: 43.819714 Å^3
• 极化表面积: 70.79 Å^2
• 可自由旋转的化学键: 7
• 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