6,7-dimethoxy-4-(2-(1-methyl-1H-imidazol-5-yl)-2-oxoethyl)quinoline-3-carbonitrile | 1191101-25-3

• 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: 6,7-dimethoxy-4-(2-(1-methyl-1H-imidazol-5-yl)-2-oxoethyl)quinoline-3-carbonitrile
• CAS: 1191101-25-3
• 化学式: C₁₈H₁₆N₄O₃
• 分子量: 336.35
• InChiKey: YCNYOHWISGLDGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  90.03
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  6,7-dimethoxy-4-(2-(1-methyl-1H-imidazol-5-yl)-2-oxoethyl)quinoline-3-carbonitrile 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 8,9-dimethoxy-2-(1-methyl-1H-imidazol-5-yl)benzo[c][2,7]naphthyridin-4-amine
  参考文献：
  名称：

  Benzo[c][2,7]naphthyridines as inhibitors of PDK-1

  摘要：

  A series of substituted benzo[c][2,7]-naphthyridines were prepared and showed good potency in inhibiting PDK-1. The synthesis and SAR of this series of compounds are presented as well as the X-ray crystal structure of one of these analogs in a complex with PDK-1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.007
• 作为产物：
  描述：

  6,7-dimethoxy-4-methyl-3-cyanoquinoline 、 1-甲基咪唑-5-甲酸甲酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 6,7-dimethoxy-4-(2-(1-methyl-1H-imidazol-5-yl)-2-oxoethyl)quinoline-3-carbonitrile
  参考文献：
  名称：

  Benzo[c][2,7]naphthyridines as inhibitors of PDK-1

  摘要：

  A series of substituted benzo[c][2,7]-naphthyridines were prepared and showed good potency in inhibiting PDK-1. The synthesis and SAR of this series of compounds are presented as well as the X-ray crystal structure of one of these analogs in a complex with PDK-1. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.007