5-Amino-1-cyclopropyl-7,8-difluoro-6-methyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid | 194782-94-0

• 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: 5-Amino-1-cyclopropyl-7,8-difluoro-6-methyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
• 英文别名: 5-Amino-1-cyclopropyl-7,8-difluoro-6-methyl-4-oxoquinoline-3-carboxylic acid
• CAS: 194782-94-0
• 化学式: C₁₄H₁₂F₂N₂O₃
• 分子量: 294.258
• InChiKey: RAAAYBPRDLACOW-UHFFFAOYSA-N

物化性质

• 沸点：
  540.6±50.0 °C(Predicted)
• 密度：
  1.623±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-Amino-1-cyclopropyl-7,8-difluoro-6-methyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 在 盐酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 5-Amino-7-(3-amino-pyrrolidin-1-yl)-1-cyclopropyl-8-fluoro-6-methyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  参考文献：
  名称：

  Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones

  摘要：

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00324-7
• 作为产物：
  描述：

  在 盐酸 、 乙醇 、 镍 作用下， 生成 5-Amino-1-cyclopropyl-7,8-difluoro-6-methyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
  参考文献：
  名称：

  Novel 5-amino-6-methylquinolone antibacterials: A new class of non-6-fluoroquinolones

  摘要：

  A novel 5-amino-6-methylquinoline carboxylic acid was synthesized from 2,3,4-trifluoro aniline in 12 steps and coupled with various types of amines to furnish new quinolone antibacterial agents. Depending on the structure of amine, some of quinolones showed comparable activity to ciprofloxacin or better Gram positive activity than ciprofloxacin, demonstrating that the C6 fluorine atom is not a necessary requirement for good antibacterial potency. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00324-7