ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

• ChemBase编号: 169582
• 分子式: C16H15F2NO4
• 平均质量: 323.2914064
• 单一同位素质量: 323.09691441
• SMILES: c1(c(c(cc2c1n(cc(c2=O)C(=O)OCC)C1CC1)F)F)OC
• Canonical SMILES: CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC)F)F
• InChI: InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
• InChIKey: XPAOPAPDCRLMTR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
• IUPAC传统名: ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
• 别名: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester

登记号

• CAS号: 112811-71-9
• PubChem SID: 162263714
• PubChem CID: 10758239

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7024379
• LogD (pH = 7.4): 2.7024379
• Log P: 2.7024379
• 摩尔折射率: 78.9527 cm^3
• 极化性: 29.204977 Å^3
• 极化表面积: 55.84 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Pale Yellow Solid
• 熔点: 183-185°C

安全信息

• 保存条件: -20°C Freezer

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - G250010

Gatifloxacin intermediate.