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

• ChemBase编号: 225864
• 分子式: C19H21N3O5
• 平均质量: 371.38714
• 单一同位素质量: 371.14812079
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCc1occc1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCc1ccco1)C
• InChI: InChI=1S/C19H21N3O5/c1-12-21-15-10-17(26-3)16(25-2)9-14(15)19(24)22(12)11-18(23)20-7-6-13-5-4-8-27-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)
• InChIKey: MUWGEEPDPOHQSS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164281774
• PubChem CID: 71691879

理论计算性质

• Acid pKa: 14.317381
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.42043483
• LogD (pH = 7.4): 0.421161
• Log P: 0.4211703
• 摩尔折射率: 99.8854 cm^3
• 极化性: 36.968468 Å^3
• 极化表面积: 93.37 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