16-Chloro-6,8,13,13-tetramethyl-6,8,10,20-tetrazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-2,4(9),14(19),15,17-pentaene-5,7-dione | 1134017-14-3

• 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: 16-Chloro-6,8,13,13-tetramethyl-6,8,10,20-tetrazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-2,4(9),14(19),15,17-pentaene-5,7-dione
• CAS: 1134017-14-3
• 化学式: C₂₀H₂₁ClN₄O₂
• 分子量: 384.865
• InChiKey: XDYWGVGVBQOVME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3-Dimethyl-7-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carbaldehyde 、 对氯苯胺 在 indium(III) chloride 作用下， 以 乙腈 为溶剂， 以92%的产率得到16-Chloro-6,8,13,13-tetramethyl-6,8,10,20-tetrazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-2,4(9),14(19),15,17-pentaene-5,7-dione
  参考文献：
  名称：

  Synthesis and antibacterial property of quinolines with potent DNA gyrase activity

  摘要：

  Synthesis of a series of novel tetrahydroquinoline annulated heterocycles has been accomplished by intramolecular imino and bisimino Diels-Alder reaction. These compounds were evaluated for their antibacterial activity. All the synthetic compounds, exhibited good antibacterial activity against microorganisms of which one of them 7 was found to be as active as the antibiotic ciplofloxacin and is found to have MIC value of 2.5 mg/mL against Escherichia coli. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.058

文献信息

• Synthesis and antibacterial property of quinolines with potent DNA gyrase activity
  作者：Ekambaram Ramesh、Rathna Durga R.S. Manian、Ragavachary Raghunathan、Shilpakala Sainath、Malathi Raghunathan

  DOI：10.1016/j.bmc.2008.11.058

  日期：2009.1

  Synthesis of a series of novel tetrahydroquinoline annulated heterocycles has been accomplished by intramolecular imino and bisimino Diels-Alder reaction. These compounds were evaluated for their antibacterial activity. All the synthetic compounds, exhibited good antibacterial activity against microorganisms of which one of them 7 was found to be as active as the antibiotic ciplofloxacin and is found to have MIC value of 2.5 mg/mL against Escherichia coli. (C) 2008 Elsevier Ltd. All rights reserved.