1-ethyl-5,6,8-trifluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid | 111781-36-3

• 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: 1-ethyl-5,6,8-trifluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
• 英文别名: 1-ethyl-5,6,8-trifluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
• CAS: 111781-36-3
• 化学式: C₁₇H₁₈F₃N₃O₃
• 分子量: 369.343
• InChiKey: LXNXKRQGXKZSRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-ethyl-5,6,8-trifluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid 生成 5-Amino-1-ethyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  PETERSEN, UWE;GROHE, KLAUS;SCHRIEWER, MICHAEL;SCHENKE, THOMAS;HALLER, ING+

  摘要：

  DOI：
• 作为产物：
  描述：

  1-ethyl-5,6,7,8-tetrafluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid 生成 1-ethyl-5,6,8-trifluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
  参考文献：
  名称：

  PETERSEN, UWE;GROHE, KLAUS;SCHRIEWER, MICHAEL;SCHENKE, THOMAS;HALLER, ING+

  摘要：

  DOI：

文献信息

• 7-(substituted)piperaziny
  申请人：American Cyanamid Company

  公开号：US04940710A1

  公开（公告）日：1990-07-10

  7-(substituted)piperazinyl-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acids, the pharmacologically acceptable salts thereof, compositions containing them, processes and intermediates for producing them, and methods of using them to treat bacterial infections in warm-blooded animals.

  7-(取代)哌嗪基-1-乙基-6-氟-4-氧代-3-喹啉羧酸，其药理上可接受的盐，含有它们的组合物，生产它们的过程和中间体，以及使用它们治疗温血动物细菌感染的方法。
• 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0230053A2

  公开（公告）日：1987-07-29

  7-(substituted)piperazinyl-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acids, the pharmacologically acceptable salts thereof, compositions containing them, processes and intermediates for producing them, and methods of using them to treat bacterial infections in warm-blooded animals.

  7-(取代)哌嗪基-1-乙基-6-氟-4-氧代-3-喹啉羧酸、其药理上可接受的盐、含有它们的组合物、生产它们的工艺和中间体，以及用它们治疗温血动物细菌感染的方法。
• Synthesis of novel 5-fluoro analogs of norfloxacin and ciprofloxacin
  作者：Daniel B. Moran、Carl B. Ziegler、Theresa S. Dunne、Nydia A. Kuck、Yang I Lin

  DOI：10.1021/jm00126a028

  日期：1989.6

  A series of polyfluoro-3-quinolonecarboxylic acids have been synthesized and their in vitro antibacterial activity evaluated. The desired 7-(substituted amino) derivatives were prepared from the 5,6,7,8-tetrafluoroquinolone acids. Conversely, amine displacement occurred primarily at the 5-position when the ester was used. Structure-activity studies indicated that the antibacterial activity was greatest when the N-1 substituent was cyclopropyl and the 7-substituent was 4-methyl-1-piperazinyl. All 5-(substituted amino) derivatives showed poor in vitro activity.
• PETERSEN, UWE;GROHE, KLAUS;SCHRIEWER, MICHAEL;SCHENKE, THOMAS;HALLER, ING+
  作者：PETERSEN, UWE、GROHE, KLAUS、SCHRIEWER, MICHAEL、SCHENKE, THOMAS、HALLER, ING+

  DOI：——

  日期：——
• US4940710A
  申请人：——

  公开号：US4940710A

  公开（公告）日：1990-07-10