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

• ChemBase编号: 227926
• 分子式: C23H27N3O6
• 平均质量: 441.47698
• 单一同位素质量: 441.1899856
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)Cc1cc(c(cc1)OC)OC)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C23H27N3O6/c1-14-25-17-13-21(32-5)20(31-4)12-16(17)23(28)26(14)9-8-24-22(27)11-15-6-7-18(29-2)19(10-15)30-3/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,24,27)
• InChIKey: ZDHQPMIYINIQAU-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-(3,4-dimethoxyphenyl)acetamide
• IUPAC传统名: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

登记号

• PubChem SID: 164283836
• PubChem CID: 71755046

理论计算性质

• 摩尔折射率: 120.2549 cm^3
• 极化性: 45.11587 Å^3
• 极化表面积: 98.69 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true
• Acid pKa: 14.752191
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 1.2212186
• LogD (pH = 7.4): 1.2226162
• Log P: 1.2226341

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds