1-Ethyl-6-fluoro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-7-piperazin-1-ylquinolin-4-one | 1025080-41-4

• 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: 1-Ethyl-6-fluoro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-7-piperazin-1-ylquinolin-4-one
• 英文别名: 1-ethyl-6-fluoro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-7-piperazin-1-ylquinolin-4-one
• CAS: 1025080-41-4
• 化学式: C₂₃H₂₁FN₆O₄
• 分子量: 464.456
• InChiKey: AQYDEKNTCMJKPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-硝基苯酰肼 、 诺氟沙星 在 三氯氧磷 作用下， 以76%的产率得到1-Ethyl-6-fluoro-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-7-piperazin-1-ylquinolin-4-one
  参考文献：
  名称：

  Synthesis and antiproliferative activity of 1-[(sub)]-6-fluoro-3-[(sub)]-1, 3,4-oxadiazol-2-yl-7-piperazino-1, 4-dihydro-4-quinolinone derivatives

  摘要：

  A series of 1-[(sub)]-6-fluoro-3- [(sub)]-1, 3, 4-oxadiazol-2-yl-7-piperazino-1, 4-dihydro 4-quinolinones were synthesized by the reaction between ciprofloxacin and norfloxacin with an appropriate acid hydrazide in phosphorous oxychloride. All newly synthesized compounds were evaluated for their antiproliferative activities against human lung tumor cell lines (A 549). Fluoroquinolone with oxadiazole (Q(2) ) 1-cyclopropyl-6-fluoro-3- [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-7-piperazino-1, 4-dihydro-4-quinolinone was found to be the most active compound in vitro with a half-maximal inhibitory concentration (IC50) of 9.0 mu g/mL.

  DOI：

  10.1007/s00044-007-9031-x

文献信息

• Synthesis and antiproliferative activity of 1-[(sub)]-6-fluoro-3-[(sub)]-1, 3,4-oxadiazol-2-yl-7-piperazino-1, 4-dihydro-4-quinolinone derivatives
  作者：Mohammad Shaharyar、Mohamed Ashraf Ali、Mohammad Mustaqeem Abdullah

  DOI：10.1007/s00044-007-9031-x

  日期：2007.12

  A series of 1-[(sub)]-6-fluoro-3- [(sub)]-1, 3, 4-oxadiazol-2-yl-7-piperazino-1, 4-dihydro 4-quinolinones were synthesized by the reaction between ciprofloxacin and norfloxacin with an appropriate acid hydrazide in phosphorous oxychloride. All newly synthesized compounds were evaluated for their antiproliferative activities against human lung tumor cell lines (A 549). Fluoroquinolone with oxadiazole (Q(2) ) 1-cyclopropyl-6-fluoro-3- [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-7-piperazino-1, 4-dihydro-4-quinolinone was found to be the most active compound in vitro with a half-maximal inhibitory concentration (IC50) of 9.0 mu g/mL.