1-ethyl-7-(4-(4-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamido)butanoyl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-ethyl-7-(4-(4-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamido)butanoyl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 1-Ethyl-7-[4-[4-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]butanoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid；1-ethyl-7-[4-[4-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]butanoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
• 化学式: C₃₂H₃₅FN₆O₆
• 分子量: 618.665
• InChiKey: RGTDABAVCLBJAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  诺氟沙星 在 盐酸 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 1-ethyl-7-(4-(4-(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamido)butanoyl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Novel antibacterial active quinolone–fluoroquinolone conjugates and 2D-QSAR studies

  摘要：

  Novel, quinolone-fluoroquinolone conjugates 10a-f, 11a-f, 13a-f and 14a-f with amino acid linkers were synthesized in good yields utilizing benzotriazole chemistry. Antibacterial bioassay showed the synthesized bis-conjugates exhibit anti-bacterial properties comparable with the parent drugs. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.07.077

文献信息

• Novel antibacterial active quinolone–fluoroquinolone conjugates and 2D-QSAR studies
  作者：Siva S. Panda、Sumaira Liaqat、Adel S. Girgis、Ahmed Samir、C. Dennis Hall、Alan R. Katritzky

  DOI：10.1016/j.bmcl.2015.07.077

  日期：2015.9

  Novel, quinolone-fluoroquinolone conjugates 10a-f, 11a-f, 13a-f and 14a-f with amino acid linkers were synthesized in good yields utilizing benzotriazole chemistry. Antibacterial bioassay showed the synthesized bis-conjugates exhibit anti-bacterial properties comparable with the parent drugs. (C) 2015 Elsevier Ltd. All rights reserved.