2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide

• ChemBase编号: 221598
• 分子式: C19H19N3O5
• 平均质量: 369.37126
• 单一同位素质量: 369.13247072
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)Cn1cnc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H19N3O5/c1-25-13-6-4-5-12(7-13)21-18(23)10-22-11-20-15-9-17(27-3)16(26-2)8-14(15)19(22)24/h4-9,11H,10H2,1-3H3,(H,21,23)
• InChIKey: MKTJZEOFAYLHJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
• IUPAC传统名: 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide

登记号

• PubChem SID: 164277508
• PubChem CID: 9403423

理论计算性质

• Acid pKa: 12.183935
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.3871746
• LogD (pH = 7.4): 1.3876756
• Log P: 1.3876892
• 摩尔折射率: 101.5476 cm^3
• 极化性: 37.06565 Å^3
• 极化表面积: 89.46 Å^2
• 可自由旋转的化学键: 6
• 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