7-(tert-butylamino)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1293992-45-6

• 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: 7-(tert-butylamino)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 7-(Tert-butylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 1293992-45-6
• 化学式: C₁₆H₁₈F₂N₂O₃
• 分子量: 324.327
• InChiKey: WTVXRZCCTKFEKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-乙基-6,7,8-三氟-1,4-二氢-4-氧代-3-喹啉甲酸乙酯 在 盐酸 、 水 作用下， 以 溶剂黄146 、 乙腈 为溶剂， 反应 9.0h， 生成 7-(tert-butylamino)-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of novel 8-fluoro Norfloxacin derivatives as potential probes for methicillin and vancomycin-resistant Staphylococcus aureus

  摘要：

  A series of novel 8-fluoro Norfloxacin derivatives and the hybrids of its piperazinyl derivatives incorporated with 1,3,5-triazine and pyrimidine were synthesized. All the above compounds were evaluated for their antibacterial activity against Klebsiella pneumoniae, methicillin-resistant Staphylococcus aureus and methicillin & vancomycin-resistant S. aureus. Among all, compounds having Morpholine, N-methyl/phenyl/benzyl/pyrimidinyl piperazines and n-butylamine substitution at C-7 position, have shown increased potency in comparison to norfloxacin and ciprofloxacin. (c) 2011 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2011.01.044