Ethyl 6-chloro-4-[2-(2-chlorophenyl)hydrazinyl]quinoline-3-carboxylate | 1026185-79-4

• 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: Ethyl 6-chloro-4-[2-(2-chlorophenyl)hydrazinyl]quinoline-3-carboxylate
• CAS: 1026185-79-4
• 化学式: C₁₈H₁₅Cl₂N₃O₂
• 分子量: 376.242
• InChiKey: RUUXHYJCAJIHKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 6-chloro-4-[2-(2-chlorophenyl)hydrazinyl]quinoline-3-carboxylate 以 various solvent(s) 为溶剂， 反应 1.0h， 以60%的产率得到
  参考文献：
  名称：

  Structure-activity relationship studies at benzodiazepine receptor (BZR): a comparison of the substituent effects of pyrazoloquinolinone analogs

  摘要：

  The synthesis of a series of 2-phenylpyrazolo[4,3-c]quinolin-3-one derivatives and their in vitro biological evaluation as ligands for the benzodiazepine receptor are described. The in vitro activities, as determined by an analysis of GABA shift ratios, and binding affinities of these compounds to BZR are compared in terms of the electronic, lipophilic, and steric effect changes of their substituents.

  DOI：

  10.1021/jm00063a017
• 作为产物：
  描述：

  乙氧基甲叉丙二酸二乙酯 在 三氯氧磷 作用下， 以 xylene 为溶剂， 反应 1.0h， 生成 Ethyl 6-chloro-4-[2-(2-chlorophenyl)hydrazinyl]quinoline-3-carboxylate
  参考文献：
  名称：

  Structure-activity relationship studies at benzodiazepine receptor (BZR): a comparison of the substituent effects of pyrazoloquinolinone analogs

  摘要：

  The synthesis of a series of 2-phenylpyrazolo[4,3-c]quinolin-3-one derivatives and their in vitro biological evaluation as ligands for the benzodiazepine receptor are described. The in vitro activities, as determined by an analysis of GABA shift ratios, and binding affinities of these compounds to BZR are compared in terms of the electronic, lipophilic, and steric effect changes of their substituents.

  DOI：

  10.1021/jm00063a017

文献信息

• Structure-activity relationship studies at benzodiazepine receptor (BZR): a comparison of the substituent effects of pyrazoloquinolinone analogs
  作者：R. Ian Fryer、Puwen Zhang、Roberto Rios、Zi Qiang Gu、Anthony S. Basile、Phil Skolnick

  DOI：10.1021/jm00063a017

  日期：1993.5

  The synthesis of a series of 2-phenylpyrazolo[4,3-c]quinolin-3-one derivatives and their in vitro biological evaluation as ligands for the benzodiazepine receptor are described. The in vitro activities, as determined by an analysis of GABA shift ratios, and binding affinities of these compounds to BZR are compared in terms of the electronic, lipophilic, and steric effect changes of their substituents.