3-[(2-chloro-5,6-dimethylquinolin-3-yl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one | 1146981-25-0

• 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-[(2-chloro-5,6-dimethylquinolin-3-yl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
• CAS: 1146981-25-0
• 化学式: C₂₆H₁₇Cl₃N₂O
• 分子量: 479.793
• InChiKey: IGKDWTQYUSSPNP-UHFFFAOYSA-N

物化性质

• 熔点：
  260 °C(Solvent: Methanol)
• 沸点：
  636.5±55.0 °C(predicted)
• 密度：
  1.437±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.03
• 重原子数：
  32.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  33.2
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2,6-二氯-N-苯基苯胺 在 哌啶 、 aluminum (III) chloride 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 3-[(2-chloro-5,6-dimethylquinolin-3-yl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
  参考文献：
  名称：

  In vitro cytotoxicity evaluation of diversely substituted N-aryl-2-oxindoles

  摘要：

  In continuation with our previous work, structurally diverse 2-indolinones bearing 2,6-dichloroaryl fragment at N (1) and (hetero)aryl benzylidene at C-3 were evaluated for their antitumor activity on a panel of cancer cell lines such as MCF-7 (breast), MiapaCa2 (pancreas), KB (oral), HuTu80 (stomach), L132 (lung), B16F10 (melanoma), and Molt4 (leukemia) from various human organs. Among the screened compound library, molecules 4e, 4k, and 4r have shown excellent cytotoxicity on a stomach cancer cell line. Moreover, a significant number of compounds have also shown promising cytotoxicity on pancreas and oral cancer cell lines.

  DOI：

  10.1007/s00044-012-0309-2