N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide

• ChemBase编号: 227487
• 分子式: C23H24N4O4
• 平均质量: 420.46106
• 单一同位素质量: 420.17975527
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)Cc1c[nH]c3c1cccc3)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C23H24N4O4/c1-14-26-19-12-21(31-3)20(30-2)11-17(19)23(29)27(14)9-8-24-22(28)10-15-13-25-18-7-5-4-6-16(15)18/h4-7,11-13,25H,8-10H2,1-3H3,(H,24,28)
• InChIKey: LZSWDMKATSVRRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide
• IUPAC传统名: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide

登记号

• PubChem SID: 164283397
• PubChem CID: 71754618

理论计算性质

• Acid pKa: 14.995906
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 1.6353232
• LogD (pH = 7.4): 1.6367208
• Log P: 1.6367387
• 摩尔折射率: 118.415 cm^3
• 极化性: 45.225525 Å^3
• 极化表面积: 96.02 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