1-(3,4-dimethoxybenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate

• ChemBase编号: 200543
• 分子式: C30H31NO7
• 平均质量: 517.56964
• 单一同位素质量: 517.21005234
• SMILES: N1(c2c(C(=CC1(C)C)C)cc(OC(=O)c1cc(c(cc1)OC)OC)cc2)C(=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1)C(=CC(N2C(=O)c1ccc(c(c1)OC)OC)(C)C)C
• InChI: InChI=1S/C30H31NO7/c1-18-17-30(2,3)31(28(32)19-8-12-24(34-4)26(14-19)36-6)23-11-10-21(16-22(18)23)38-29(33)20-9-13-25(35-5)27(15-20)37-7/h8-17H,1-7H3
• InChIKey: AJLDQSQEAKAHRA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3,4-dimethoxybenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,4-dimethoxybenzoate
• IUPAC传统名: 1-(3,4-dimethoxybenzoyl)-2,2,4-trimethylquinolin-6-yl 3,4-dimethoxybenzoate

登记号

• PubChem SID: 164256453
• PubChem CID: 1758138

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 5.3176365
• LogD (pH = 7.4): 5.3176365
• Log P: 5.3176365
• 摩尔折射率: 144.5753 cm^3
• 极化性: 55.314194 Å^3
• 极化表面积: 83.53 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds