N-phenyl-2-hydrazino-4-quinolinecarboxamide | 136354-29-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-phenyl-2-hydrazino-4-quinolinecarboxamide
• 英文别名: 2-hydrazinoquinoline-4-carboxanilide；2-hydrazinyl-N-phenylquinoline-4-carboxamide
• CAS: 136354-29-5
• 化学式: C₁₆H₁₄N₄O
• 分子量: 278.313
• InChiKey: WLPJLWRJNDFIDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-phenyl-2-hydrazino-4-quinolinecarboxamide 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 3-carbethoxy-1,2,4-triazolo<4,3-a>quinoline-9-carboxylic acid anilide
  参考文献：
  名称：

  取代的2-肼基-和2-（Β-酰基肼基）-辛二酸酰胺的合成及其环化成1,2,4-三唑并[4,3-a]喹啉-9-羧酸酰胺

  摘要：

  DOI：

  10.1007/bf00480836
• 作为产物：
  描述：

  2-chloro-quinoline-4-carboxylic acid phenyl-amide 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以82%的产率得到N-phenyl-2-hydrazino-4-quinolinecarboxamide
  参考文献：
  名称：

  取代的2-肼基-和2-（Β-酰基肼基）-辛二酸酰胺的合成及其环化成1,2,4-三唑并[4,3-a]喹啉-9-羧酸酰胺

  摘要：

  DOI：

  10.1007/bf00480836

文献信息

• Synthesis and biological activity of amides of 2-hydrazinocinchoninic, 1,2,4-triazolo[4,3-a]-, and 1,2,3,4-tetrazolo[4,3-a]-quinoline-9-carboxylic acids
  作者：O. A. Yanborisova、T. M. Kon'shina、A. S. Zaks、A. I. Mikhalev、M. E. Kon'shin

  DOI：10.1007/bf02219705

  日期：1996.3
• Scouting Human A₃ Adenosine Receptor Antagonist Binding Mode Using a Molecular Simplification Approach: From Triazoloquinoxaline to a Pyrimidine Skeleton as a Key Study
  作者：Erika Morizzo、Francesca Capelli、Ombretta Lenzi、Daniela Catarzi、Flavia Varano、Guido Filacchioni、Fabrizio Vincenzi、Katia Varani、Pier Andrea Borea、Vittoria Colotta、Stefano Moro

  DOI：10.1021/jm070852a

  日期：2007.12.27

  The concept of molecular simplification as a drug design strategy to shorten synthetic routes, while keeping or enhancing the biological activity of the lead drug, has been applied to design new classes of human A(3) adenosine receptor (AR) antagonists. Over the past decade, we have focused a part of our research on the study of AR antagonists belonging to strictly correlated classes of tricyclic compounds. One of these classes is represented by the 2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives, either 4-amino or 4-oxosubstituted, which were intensively investigated by evaluating the effect of different substituents on the 2-phenyl ring and on the 4-amino group. Using an in silico molecular simplification approach, a new series of easily synthesizable 2-amino/2-oxoquinazoline-4-carboxamido derivatives have been discovered, presenting high affinity and selectivity against human A(3) AR.
• Synthesis of substituted 2-hydrazino- and 2-(?-acylhydrazino)-cinchoninic acid amides and their cyclization to 1,2,4-triazolo[4,3-a]quinoline-9-carboxylic acid amides
  作者：O. Ya. Yanborisova、M. E. Konshin

  DOI：10.1007/bf00480836

  日期：1991.4
• Nayyar, Amit; Jain, Rahul, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 1, p. 117 - 128
  作者：Nayyar, Amit、Jain, Rahul

  DOI：——

  日期：——