N-(2-Cyclohexyl-quinolin-8-yl)-2,2,2-trifluoro-acetamide

• 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: N-(2-Cyclohexyl-quinolin-8-yl)-2,2,2-trifluoro-acetamide
• 英文别名: N-(2-cyclohexyl-8-quinolyl)-2,2,2-trifluoro-acetamide；N-(2-cyclohexylquinolin-8-yl)-2,2,2-trifluoroacetamide
• 化学式: C₁₇H₁₇F₃N₂O
• 分子量: 322.33
• InChiKey: SCKWZCBWHAMOMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Cyclohexyl-8-nitro-quinoline 在 镍 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、310.26 kPa 条件下， 反应 4.75h， 生成 N-(2-Cyclohexyl-quinolin-8-yl)-2,2,2-trifluoro-acetamide
  参考文献：
  名称：

  Ring-substituted quinolines as potential anti-tuberculosis agents

  摘要：

  We report in vitro antimycobacterial properties of ring-substituted quinolines (series 1-4) constituting 56 analogues against drug-sensitive and drug-resistant If. tuberculosis H37Rv strains. The most effective compounds 2h (R-1 = R-2 = c-C6H11, R-3 = NO2, series 1) and 13g (R-1 = OC7H15, R-2 = NO2, series 4) have exhibited an MIC value of 1 mug/mL against drug-sensitive If. tuberculosis H37Rv strain that is comparable to first lisle anti-tuberculosis drug, isoniazid. :Selected analogues (2d, 2g 2h, 4e, 6b, 13b, 13g, and 14e, MIC: less than or equal to6.25 mug/mL) upon further evaluation against single-drug-resistant (SDR) strains of M. tuberculosis H37Rv 9 have produced potent efficacy in the range between 6.25 and 50 mug/mL. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.045

文献信息

• Ring-substituted quinolines as potential anti-tuberculosis agents
  作者：Suryanarayana Vangapandu、Meenakshi Jain、Rahul Jain、Sukhraj Kaur、Prati Pal Singh

  DOI：10.1016/j.bmc.2004.03.045

  日期：2004.5

  We report in vitro antimycobacterial properties of ring-substituted quinolines (series 1-4) constituting 56 analogues against drug-sensitive and drug-resistant If. tuberculosis H37Rv strains. The most effective compounds 2h (R-1 = R-2 = c-C6H11, R-3 = NO2, series 1) and 13g (R-1 = OC7H15, R-2 = NO2, series 4) have exhibited an MIC value of 1 mug/mL against drug-sensitive If. tuberculosis H37Rv strain that is comparable to first lisle anti-tuberculosis drug, isoniazid. :Selected analogues (2d, 2g 2h, 4e, 6b, 13b, 13g, and 14e, MIC: less than or equal to6.25 mug/mL) upon further evaluation against single-drug-resistant (SDR) strains of M. tuberculosis H37Rv 9 have produced potent efficacy in the range between 6.25 and 50 mug/mL. (C) 2004 Elsevier Ltd. All rights reserved.