4-Methoxy-7-methyl-9-oxo-6,9-dihydro-3H-pyrrolo[3,2-f]quinoline-2-carboxylic acid methyl ester | 860022-19-1

• 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-Methoxy-7-methyl-9-oxo-6,9-dihydro-3H-pyrrolo[3,2-f]quinoline-2-carboxylic acid methyl ester
• CAS: 860022-19-1
• 化学式: C₁₅H₁₄N₂O₄
• 分子量: 286.287
• InChiKey: YCLAPIQDEYYCBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  84.18
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-Methoxy-7-methyl-9-oxo-6,9-dihydro-3H-pyrrolo[3,2-f]quinoline-2-carboxylic acid methyl ester 在 palladium on activated charcoal 氢气 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 4.0h， 生成
  参考文献：
  名称：

  New water soluble pyrroloquinoline derivatives as new potential anticancer agents

  摘要：

  A new class of water soluble 3H-pyrrolo[3,2-f]quinoline derivatives has been synthesized and investigated as potential anticancer drugs. Water solubility profiles have been used to select the most promising derivatives. The novel compound 10, having two (2-diethylamino-ethyl) side chains linked through positions 3N and 90, presents a suitable water solubility profile, and it was shown to exhibit cell growth inhibitory properties when tested against the in-house panel of cell lines, in particular those obtained from melanoma. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.080
• 作为产物：
  描述：

  5-amino-7-methoxyindole-2-carboxylic acid methyl ester 在 calcium sulfate 、 溶剂黄146 作用下， 以 二苯醚 、 乙醇 为溶剂， 反应 0.5h， 生成 4-Methoxy-7-methyl-9-oxo-6,9-dihydro-3H-pyrrolo[3,2-f]quinoline-2-carboxylic acid methyl ester
  参考文献：
  名称：

  New water soluble pyrroloquinoline derivatives as new potential anticancer agents

  摘要：

  A new class of water soluble 3H-pyrrolo[3,2-f]quinoline derivatives has been synthesized and investigated as potential anticancer drugs. Water solubility profiles have been used to select the most promising derivatives. The novel compound 10, having two (2-diethylamino-ethyl) side chains linked through positions 3N and 90, presents a suitable water solubility profile, and it was shown to exhibit cell growth inhibitory properties when tested against the in-house panel of cell lines, in particular those obtained from melanoma. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.080