Potassium; 7-chloro-6-fluoro-4-oxo-1-propylamino-1,4-dihydro-quinoline-3-carboxylate | 88569-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Potassium; 7-chloro-6-fluoro-4-oxo-1-propylamino-1,4-dihydro-quinoline-3-carboxylate
• 英文别名: potassium;7-chloro-6-fluoro-4-oxo-1-(propylamino)quinoline-3-carboxylate
• CAS: 88569-43-1
• 化学式: C₁₃H₁₁ClFN₂O₃*K
• 分子量: 336.792
• InChiKey: BJADQQLTRVPENG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.88
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-Chloro-6-fluoro-1-(formyl-propyl-amino)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 在 氢氧化钾 、 乙醇 、 水 作用下， 以56%的产率得到Potassium; 7-chloro-6-fluoro-4-oxo-1-propylamino-1,4-dihydro-quinoline-3-carboxylate
  参考文献：
  名称：

  Novel amino-substituted 3-quinolinecarboxylic acid antibacterial agents: synthesis and structure-activity relationships

  摘要：

  A series of novel 3-quinolinecarboxylic acid derivatives have been prepared and their antibacterial activity evaluated. These derivatives are characterized by fluorine attached to the 6-position and substituted amino groups appended to the 1- and 7-positions. Structure-activity relationship studies indicate that antibacterial potency is greatest when the 1-substituent is methylamino and the 7-substituent is either 4-methyl-1-piperazinyl, 16, or 1-piperazinyl, 21. Derivatives 16 and 21, the 1-methylamino analogues of pefloxacin and norfloxacin, respectively, show comparable in vitro and in vivo antibacterial potency to these two known agents. The activity (vs. Escherichia coli Vogel) of 16 (amifloxacin) is the following: in vitro MIC (microgram/mL) = 0.25; in vivo (mice) PD50 (mg/kg) = 1.0 (po), 0.6 (sc).

  DOI：

  10.1021/jm00375a003