2-amino-4-(3-aminophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile | 957048-51-0

• 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-amino-4-(3-aminophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
• CAS: 957048-51-0
• 化学式: C₁₆H₁₄N₄O
• 分子量: 278.313
• InChiKey: SLNXCSRBWPDLBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-4-(3-aminophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile 、 3-氯丙酰氯 在 碳酸氢钠 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以92%的产率得到N-(3-(2-amino-3-cyano-5,6,7,8-tetrahydro-5-oxoquinolin-4-yl)phenyl)-3-chloropropanamide
  参考文献：
  名称：

  Synthesis and evaluation of antifungal properties of a series of the novel 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and its analogues

  摘要：

  A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated for their antifungal activity. The relationship between functional group variation and biological activity of the evaluated compounds is discussed in the article. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.009
• 作为产物：
  描述：

  2-amino-4-(3-nitrophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以97%的产率得到2-amino-4-(3-aminophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
  参考文献：
  名称：

  Synthesis and evaluation of antifungal properties of a series of the novel 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and its analogues

  摘要：

  A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated for their antifungal activity. The relationship between functional group variation and biological activity of the evaluated compounds is discussed in the article. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.009