7-chloro-6-fluoro-1,4-dihydro-1-(2-methyl-4-thiazolylmethyl)-4-oxoquinoline-3-carboxylic acid | 135442-01-2

• 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-chloro-6-fluoro-1,4-dihydro-1-(2-methyl-4-thiazolylmethyl)-4-oxoquinoline-3-carboxylic acid
• 英文别名: 7-chloro-6-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxoquinoline-3-carboxylic acid
• CAS: 135442-01-2
• 化学式: C₁₅H₁₀ClFN₂O₃S
• 分子量: 352.773
• InChiKey: OVXZKRGYPIUSRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.31
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.19
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 7-chloro-6-fluoro-1,4-dihydro-1-(2-methyl-4-thiazolylmethyl)-4-oxoquinoline-3-carboxylic acid 在 吡啶 作用下， 以40%的产率得到6-Fluoro-7-(4-methylpiperazin-1-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of 1-(4-thiazolylmethyl)- and 7-(4-thiazolylmethyl)amino-substituted quinolones

  摘要：

  A group of 6-fluoro-1,4-dihydro-4-oxo-7-piperazinyl-1-(4-thiazolylmethyl)quinoline-3-carboxylic acids and 1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl) methylamino-4-oxoquinoline-3-carboxylic acid were synthesized. All compounds were tested in vitro against a series of Gram-positive and Gram-negative bacteria. No important antibacterial activity was found among the compounds tested.

  DOI：

  10.1016/0223-5234(91)90066-v
• 作为产物：
  描述：

  7-氯-6-氟-4-氧代-1,4-二氢喹啉-3-羧酸乙酯 在 sodium hydroxide 、 sodium hydride 作用下， 反应 0.67h， 生成 7-chloro-6-fluoro-1,4-dihydro-1-(2-methyl-4-thiazolylmethyl)-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of 1-(4-thiazolylmethyl)- and 7-(4-thiazolylmethyl)amino-substituted quinolones

  摘要：

  A group of 6-fluoro-1,4-dihydro-4-oxo-7-piperazinyl-1-(4-thiazolylmethyl)quinoline-3-carboxylic acids and 1-ethyl-6-fluoro-1,4-dihydro-7-(2-methyl-4-thiazolyl) methylamino-4-oxoquinoline-3-carboxylic acid were synthesized. All compounds were tested in vitro against a series of Gram-positive and Gram-negative bacteria. No important antibacterial activity was found among the compounds tested.

  DOI：

  10.1016/0223-5234(91)90066-v