2-{[4-hydroxy-8-(trifluoromethyl)quinolin-3-yl]carbonyl}-N-(4-methylphenyl)hydrazinecarboxamide | 1346226-56-9

• 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: 2-{[4-hydroxy-8-(trifluoromethyl)quinolin-3-yl]carbonyl}-N-(4-methylphenyl)hydrazinecarboxamide
• 英文别名: 1-(4-methylphenyl)-3-[[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]urea
• CAS: 1346226-56-9
• 化学式: C₁₉H₁₅F₃N₄O₃
• 分子量: 404.348
• InChiKey: HAXZMPAZMQRPNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  99.3
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  邻氨基三氟甲苯 在 吡啶 、 一水合肼 作用下， 以 乙醇 、 Dowtherm medium 为溶剂， 反应 11.5h， 生成 2-{[4-hydroxy-8-(trifluoromethyl)quinolin-3-yl]carbonyl}-N-(4-methylphenyl)hydrazinecarboxamide
  参考文献：
  名称：

  Design, synthesis and docking studies of new quinoline-3-carbohydrazide derivatives as antitubercular agents

  摘要：

  Three new series of 4-hydroxy-8-trifluoromethyl-quinoline derivatives were synthesized through multi step reactions. All the newly synthesized compounds were characterized by spectral and elemental analyses. The structure of 5j was evidenced by X-ray crystallographic study. The newly synthesized title compounds were evaluated for their antimicrobial activities including antimycobacterial activity. Amongst the tested compounds, 5b, 5e, 5h, 5j, 6c and 7c displayed promising antimicrobial activity. The mode of action of these active compounds was carried out by docking of receptor enoyl-ACP reductase with newly synthesized candidate ligands, 5b, 5e, 5h, 5j and 6c. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.07.033

文献信息

• Design, synthesis and docking studies of new quinoline-3-carbohydrazide derivatives as antitubercular agents
  作者：K.D. Thomas、Airody Vasudeva Adhikari、Sandeep Telkar、Imran H. Chowdhury、Riaz Mahmood、Nishith K. Pal、Guru Row、E. Sumesh

  DOI：10.1016/j.ejmech.2011.07.033

  日期：2011.11

  Three new series of 4-hydroxy-8-trifluoromethyl-quinoline derivatives were synthesized through multi step reactions. All the newly synthesized compounds were characterized by spectral and elemental analyses. The structure of 5j was evidenced by X-ray crystallographic study. The newly synthesized title compounds were evaluated for their antimicrobial activities including antimycobacterial activity. Amongst the tested compounds, 5b, 5e, 5h, 5j, 6c and 7c displayed promising antimicrobial activity. The mode of action of these active compounds was carried out by docking of receptor enoyl-ACP reductase with newly synthesized candidate ligands, 5b, 5e, 5h, 5j and 6c. (C) 2011 Elsevier Masson SAS. All rights reserved.