2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carbohydrazide

• ChemBase编号: 27305
• 分子式: C19H19N3O3
• 平均质量: 337.37246
• 单一同位素质量: 337.14264148
• SMILES: c1(c2c(nc(c1)c1cc(c(cc1)OC)OC)ccc(c2)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C19H19N3O3/c1-11-4-6-15-13(8-11)14(19(23)22-20)10-16(21-15)12-5-7-17(24-2)18(9-12)25-3/h4-10H,20H2,1-3H3,(H,22,23)
• InChIKey: PGOLRWHNPYRBAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carbohydrazide
• IUPAC传统名: 2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carbohydrazide
• 别名: 2-(3,4-Dimethoxyphenyl)-6-methylquinoline-4-carbohydrazide

登记号

• MDL号: MFCD03420410
• PubChem SID: 160990612
• PubChem CID: 3304341

理论计算性质

• Acid pKa: 14.850772
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.9152324
• LogD (pH = 7.4): 2.916207
• Log P: 2.9162197
• 摩尔折射率: 96.2736 cm^3
• 极化性: 38.978565 Å^3
• 极化表面积: 86.47 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false