2-(4,7-dimethoxy-1-methyl-1H-indole-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

• ChemBase编号: 225625
• 分子式: C23H26N2O5
• 平均质量: 410.46294
• 单一同位素质量: 410.18417194
• SMILES: c1(n(c2c(c1)c(ccc2OC)OC)C)C(=O)N1Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)c1cc2c(n1C)c(OC)ccc2OC
• InChI: InChI=1S/C23H26N2O5/c1-24-17(12-16-18(27-2)6-7-19(28-3)22(16)24)23(26)25-9-8-14-10-20(29-4)21(30-5)11-15(14)13-25/h6-7,10-12H,8-9,13H2,1-5H3
• InChIKey: PJLJTHCPVHHXCR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4,7-dimethoxy-1-methyl-1H-indole-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• IUPAC传统名: 2-(4,7-dimethoxy-1-methylindole-2-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

登记号

• PubChem SID: 164281535
• PubChem CID: 71753406

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.647354
• LogD (pH = 7.4): 2.647354
• Log P: 2.647354
• 摩尔折射率: 114.5655 cm^3
• 极化性: 44.59355 Å^3
• 极化表面积: 62.16 Å^2
• 可自由旋转的化学键: 5
• 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