4-Chloro-6-methyl-7-nitroquinoline-3-carbonitrile | 1220883-38-4

• 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: 4-Chloro-6-methyl-7-nitroquinoline-3-carbonitrile
• 英文别名: 4-chloro-6-methyl-7-nitroquinoline-3-carbonitrile
• CAS: 1220883-38-4
• 化学式: C₁₁H₆ClN₃O₂
• 分子量: 247.641
• InChiKey: GJFQXJMOUCHWDP-UHFFFAOYSA-N

物化性质

• 沸点：
  442.0±40.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chloro-6-methyl-7-nitroquinoline-3-carbonitrile 在 4-二甲氨基吡啶 、 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 15.0h， 生成 N-(4-((2-aminobenzo[d]thiazol-6-yl)amino)-3-cyano-6-methylquinolin-7-yl)-3-chloropropanamide
  参考文献：
  名称：

  Design, synthesis and antitumor activity of 6,7-disubstituted-4-(heteroarylamino)quinoline-3-carbonitrile derivatives

  摘要：

  A series of new 6,7-disubstituted-4-(benzothiazol-6-ylamino)quinoline-3-carbonitrile derivatives (12a-I) were synthesized. The cytotoxicity of 12 new compounds was evaluated in AGS, HepG2 and HT-29 cell lines The results showed that compounds 12g, 12h, 12i, 12k and 121 displayed more potent cytotoxic activities than Bosutinib, compound 121 exhibited the most potent antitumor activity among the tested compounds. (C) 2010 Qi Dong You Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.01.016
• 作为产物：
  描述：

  4-甲基-3-硝基苯胺 在 三氯氧磷 作用下， 以 biphenyl ether 为溶剂， 反应 28.0h， 生成 4-Chloro-6-methyl-7-nitroquinoline-3-carbonitrile
  参考文献：
  名称：

  Design, synthesis and antitumor activity of 6,7-disubstituted-4-(heteroarylamino)quinoline-3-carbonitrile derivatives

  摘要：

  A series of new 6,7-disubstituted-4-(benzothiazol-6-ylamino)quinoline-3-carbonitrile derivatives (12a-I) were synthesized. The cytotoxicity of 12 new compounds was evaluated in AGS, HepG2 and HT-29 cell lines The results showed that compounds 12g, 12h, 12i, 12k and 121 displayed more potent cytotoxic activities than Bosutinib, compound 121 exhibited the most potent antitumor activity among the tested compounds. (C) 2010 Qi Dong You Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.01.016

文献信息

• Design, synthesis and antitumor activity of 6,7-disubstituted-4-(heteroarylamino)quinoline-3-carbonitrile derivatives
  作者：Bao Liu、Qi Dong You、Zhi Yu Li

  DOI：10.1016/j.cclet.2010.01.016

  日期：2010.5

  A series of new 6,7-disubstituted-4-(benzothiazol-6-ylamino)quinoline-3-carbonitrile derivatives (12a-I) were synthesized. The cytotoxicity of 12 new compounds was evaluated in AGS, HepG2 and HT-29 cell lines The results showed that compounds 12g, 12h, 12i, 12k and 121 displayed more potent cytotoxic activities than Bosutinib, compound 121 exhibited the most potent antitumor activity among the tested compounds. (C) 2010 Qi Dong You Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved.