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

• ChemBase编号: 226341
• 分子式: C17H24N4O4
• 平均质量: 348.39686
• 单一同位素质量: 348.17975527
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCN(C)C
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCN(C)C)C
• InChI: InChI=1S/C17H24N4O4/c1-11-19-13-9-15(25-5)14(24-4)8-12(13)17(23)21(11)10-16(22)18-6-7-20(2)3/h8-9H,6-7,10H2,1-5H3,(H,18,22)
• InChIKey: CEFLBFBEPODUEP-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-(dimethylamino)ethyl]acetamide
• IUPAC传统名: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide

登记号

• PubChem SID: 164282251
• PubChem CID: 71692285

理论计算性质

• Acid pKa: 14.68471
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): -3.2937229
• LogD (pH = 7.4): -1.5444988
• Log P: -0.40486467
• 摩尔折射率: 96.0356 cm^3
• 极化性: 35.691288 Å^3
• 极化表面积: 83.47 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