N-[4-(5-Chloro-2-methoxy-phenyl)-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-3-yl]-acetamide | 474088-65-8

• 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-[4-(5-Chloro-2-methoxy-phenyl)-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-3-yl]-acetamide
• CAS: 474088-65-8
• 化学式: C₁₉H₁₄ClF₃N₂O₃
• 分子量: 410.78
• InChiKey: NUEXVPUVEVZQSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  71.19
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-[4-(5-Chloro-2-methoxy-phenyl)-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-3-yl]-acetamide 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 N-[4-(5-Chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetamide
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 4-aryl-3-aminoquinolin-2-ones: a new class of calcium-Dependent, large conductance, potassium (maxi-K) channel openers targeted for post-stroke neuroprotection

  摘要：

  A series of 4-aryl-3-aminoquinoline-2-one derivatives was synthesized and evaluated as activators of the cloned maxi-K channel mSlo (hSlo) expressed in Xenopus laevis oocytes using electrophysiological methods. A brain penetrable activator of maxi-K channels was identified and shown to be significantly active in the MCAO model of stroke. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00240-8
• 作为产物：
  描述：

  5-氯-2-甲氧基苯甲酸甲酯 在 吡啶 、 盐酸 、 叔丁基锂 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 N-[4-(5-Chloro-2-methoxy-phenyl)-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-3-yl]-acetamide
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 4-aryl-3-aminoquinolin-2-ones: a new class of calcium-Dependent, large conductance, potassium (maxi-K) channel openers targeted for post-stroke neuroprotection

  摘要：

  A series of 4-aryl-3-aminoquinoline-2-one derivatives was synthesized and evaluated as activators of the cloned maxi-K channel mSlo (hSlo) expressed in Xenopus laevis oocytes using electrophysiological methods. A brain penetrable activator of maxi-K channels was identified and shown to be significantly active in the MCAO model of stroke. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00240-8