7-(3-amino-2-methyl-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1251754-66-1

• 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: 7-(3-amino-2-methyl-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• CAS: 1251754-66-1
• 化学式: C₁₈H₁₇F₂N₅O₃
• 分子量: 389.361
• InChiKey: OKGICHJDNVTZQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  106.38
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  tert-butyl 3-amino-2-methyl-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 1.0h， 生成 7-(3-amino-2-methyl-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activities of 7-(3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)quinolone derivatives

  摘要：

  A series of novel 7-(3-aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)quinolone derivatives were designed, synthesized and evaluated for in vitro antibacterial activities. Compounds 6g, 7g and 7h with the potencies similar to those of gemifloxacin, moxifloxacin, gatifloxacin and levofloxacin against Gram-positive organisms, worth further investigation. (C) 2010 Yu Cheng Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.06.011