3-Quinolinecarbonitrile,4-[(3-chloro-4-fluorophenyl)amino]-7-(3-chloropropoxy)-6-nitro- | 501684-29-3

• 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: 3-Quinolinecarbonitrile,4-[(3-chloro-4-fluorophenyl)amino]-7-(3-chloropropoxy)-6-nitro-
• 英文别名: 4-(3-Chloro-4-fluoro-phenylamino)-7-(3-chloro-propoxy)-6-nitro-quinoline-3-carbonitrile
• CAS: 501684-29-3
• 化学式: C₁₉H₁₃Cl₂FN₄O₃
• 分子量: 435.242
• InChiKey: TUJSVBBVZUINQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  101.08
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-Quinolinecarbonitrile,4-[(3-chloro-4-fluorophenyl)amino]-7-(3-chloropropoxy)-6-nitro- 在 tri-n-butylammonium iodide 、 铁粉 、 溶剂黄146 、 N,N-二异丙基乙胺 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 生成 N-[4-(3-Chloro-4-fluoro-phenylamino)-3-cyano-7-(3-morpholin-4-yl-propoxy)-quinolin-6-yl]-acrylamide
  参考文献：
  名称：

  Syntheses and EGFR and HER-2 kinase inhibitory activities of 4-anilinoquinoline-3-carbonitriles: analogues of three important 4-anilinoquinazolines currently undergoing clinical evaluation as therapeutic antitumor agents

  摘要：

  The syntheses and biological evaluations of 4-anilinoquinoline-3-carbonitrile analogues of the three clinical lead 4-anilinoquinazolines Iressa(TM), Tarceva(TM), and CI-1033 are described. The EGFR and HER-2 kinase inhibitory activities and the cell growth inhibition of the two series are compared with each other and with the clinical lead EKB-569. Similar activities are observed between these two series. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00598-x
• 作为产物：
  描述：

  7-(3-氯丙氧基)-4-羟基-6-硝基-3-喹啉腈 在 三氯氧磷 作用下， 以 异丙醇 为溶剂， 生成 3-Quinolinecarbonitrile,4-[(3-chloro-4-fluorophenyl)amino]-7-(3-chloropropoxy)-6-nitro-
  参考文献：
  名称：

  Syntheses and EGFR and HER-2 kinase inhibitory activities of 4-anilinoquinoline-3-carbonitriles: analogues of three important 4-anilinoquinazolines currently undergoing clinical evaluation as therapeutic antitumor agents

  摘要：

  The syntheses and biological evaluations of 4-anilinoquinoline-3-carbonitrile analogues of the three clinical lead 4-anilinoquinazolines Iressa(TM), Tarceva(TM), and CI-1033 are described. The EGFR and HER-2 kinase inhibitory activities and the cell growth inhibition of the two series are compared with each other and with the clinical lead EKB-569. Similar activities are observed between these two series. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00598-x