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

• ChemBase编号: 226093
• 分子式: C19H26N4O5
• 平均质量: 390.43354
• 单一同位素质量: 390.19031995
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCN1CCOCC1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCN1CCOCC1)C
• InChI: InChI=1S/C19H26N4O5/c1-13-21-15-11-17(27-3)16(26-2)10-14(15)19(25)23(13)12-18(24)20-4-5-22-6-8-28-9-7-22/h10-11H,4-9,12H2,1-3H3,(H,20,24)
• InChIKey: IUKGUBQGKQNROB-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-(morpholin-4-yl)ethyl]acetamide
• IUPAC传统名: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide

登记号

• PubChem SID: 164282003
• PubChem CID: 71692072

理论计算性质

• Acid pKa: 14.676427
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): -1.3875468
• LogD (pH = 7.4): -0.6488942
• Log P: -0.6233651
• 摩尔折射率: 105.1101 cm^3
• 极化性: 39.367046 Å^3
• 极化表面积: 92.7 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