2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 2-methoxyacetate

• ChemBase编号: 223031
• 分子式: C14H16N2O4
• 平均质量: 276.28784
• 单一同位素质量: 276.111007
• SMILES: n1(c(=O)c2c(nc1C)cccc2)CCOC(=O)COC
• Canonical SMILES: COCC(=O)OCCn1c(C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C14H16N2O4/c1-10-15-12-6-4-3-5-11(12)14(18)16(10)7-8-20-13(17)9-19-2/h3-6H,7-9H2,1-2H3
• InChIKey: VLSSDDRYPVGPKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 2-methoxyacetate
• IUPAC传统名: 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 2-methoxyacetate

登记号

• PubChem SID: 164278941
• PubChem CID: 30339273

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.5712797
• LogD (pH = 7.4): 0.57398385
• Log P: 0.5740184
• 摩尔折射率: 74.1838 cm^3
• 极化性: 27.54369 Å^3
• 极化表面积: 68.2 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