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

• ChemBase编号: 226252
• 分子式: C15H19N3O5
• 平均质量: 321.32846
• 单一同位素质量: 321.13247072
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCO
• Canonical SMILES: Cc1nc2cc(OC)c(cc2c(=O)n1CC(=O)NCCO)OC
• InChI: InChI=1S/C15H19N3O5/c1-9-17-11-7-13(23-3)12(22-2)6-10(11)15(21)18(9)8-14(20)16-4-5-19/h6-7,19H,4-5,8H2,1-3H3,(H,16,20)
• InChIKey: ZRWPSILIJKMZDA-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-hydroxyethyl)acetamide
• IUPAC传统名: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(2-hydroxyethyl)acetamide

登记号

• PubChem SID: 164282162
• PubChem CID: 71692211

理论计算性质

• Acid pKa: 14.365718
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -1.1143467
• LogD (pH = 7.4): -1.1136205
• Log P: -1.1136112
• 摩尔折射率: 84.3088 cm^3
• 极化性: 31.168232 Å^3
• 极化表面积: 100.46 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