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

• ChemBase编号: 226248
• 分子式: C18H19N3O5
• 平均质量: 357.36056
• 单一同位素质量: 357.13247072
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCc1occc1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCc1ccco1)C
• InChI: InChI=1S/C18H19N3O5/c1-11-20-14-8-16(25-3)15(24-2)7-13(14)18(23)21(11)10-17(22)19-9-12-5-4-6-26-12/h4-8H,9-10H2,1-3H3,(H,19,22)
• InChIKey: GUCRFNQXNDJDHI-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-(furan-2-ylmethyl)acetamide
• IUPAC传统名: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)acetamide

登记号

• PubChem SID: 164282158
• PubChem CID: 71692207

理论计算性质

• Acid pKa: 12.416994
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.36047497
• LogD (pH = 7.4): 0.3611976
• Log P: 0.36121055
• 摩尔折射率: 95.02 cm^3
• 极化性: 35.137753 Å^3
• 极化表面积: 93.37 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