4-hydroxy-8-methoxyquinoline-3-carbohydrazide

• ChemBase编号: 123085
• 分子式: C11H11N3O3
• 平均质量: 233.22334
• 单一同位素质量: 233.08004123
• SMILES: c1(c(c2c(nc1)c(OC)ccc2)O)C(=O)NN
• Canonical SMILES: COc1cccc2c1ncc(c2O)C(=O)NN
• InChI: InChI=1S/C11H11N3O3/c1-17-8-4-2-3-6-9(8)13-5-7(10(6)15)11(16)14-12/h2-5H,12H2,1H3,(H,13,15)(H,14,16)
• InChIKey: CWZIZAAPVWDQJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxy-8-methoxyquinoline-3-carbohydrazide
• IUPAC传统名: 4-hydroxy-8-methoxyquinoline-3-carbohydrazide
• 别名: 4-hydroxy-8-methoxyquinoline-3-carbohydrazide

登记号

• PubChem SID: 162217438
• PubChem CID: 12438330

理论计算性质

• Acid pKa: 9.136951
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 0.87339616
• LogD (pH = 7.4): 0.8660967
• Log P: 0.8738285
• 摩尔折射率: 61.9859 cm^3
• 极化性: 24.335478 Å^3
• 极化表面积: 97.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true