7-Methoxy-4-(N'-phenyl-hydrazino)-quinoline-3-carboxylic acid ethyl ester | 1028265-46-4

• 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: 7-Methoxy-4-(N'-phenyl-hydrazino)-quinoline-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 7-methoxy-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
• CAS: 1028265-46-4
• 化学式: C₁₉H₁₉N₃O₃
• 分子量: 337.378
• InChiKey: FRQTYXXDNOQTQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  72.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-Methoxy-4-(N'-phenyl-hydrazino)-quinoline-3-carboxylic acid ethyl ester 以 various solvent(s) 为溶剂， 反应 0.5h， 生成 2-phenyl-7-methoxypyrazoloquinolin-3-one
  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：

  7-甲氧基-4-氧代-1,4-二氢喹啉-3-羧酸乙酯 在 三氯氧磷 作用下， 以 xylene 为溶剂， 反应 1.0h， 生成 7-Methoxy-4-(N'-phenyl-hydrazino)-quinoline-3-carboxylic acid ethyl ester
  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.