N-(2-methyl-4-oxoquinazolin-3-(4H)-yl)pyridine-4-carboxamide | 6769-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-methyl-4-oxoquinazolin-3-(4H)-yl)pyridine-4-carboxamide
• 英文别名: N-(2-methyl-4-oxoquinazolin-3(4H)-yl)pyridine-4-carboxamide；3-isonicotinoylamino-2-methyl-3H-quinazolin-4-one；2-Methyl-3--chinazol-4-on；N-(2-methyl-4-oxoquinazolin-3-yl)pyridine-4-carboxamide
• CAS: 6769-05-7
• 化学式: C₁₅H₁₂N₄O₂
• 分子量: 280.286
• InChiKey: UDLOMBZLWJELQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-糠醛 、 N-(2-methyl-4-oxoquinazolin-3-(4H)-yl)pyridine-4-carboxamide 在 溶剂黄146 作用下， 以50%的产率得到N-{2-[(E)-2-(furan-3-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}pyridine-4-carboxamide
  参考文献：
  名称：

  Synthesis of novel isoniazid incorporated styryl quinazolinones as anti-tubercular agents against INH sensitive and MDR M. tuberculosis strains

  摘要：

  New series of isoniazid incorporated 2-styrylquinazolinone derivatives were synthesized by condensing 2-methyl-4H-3,1-benzoxazin-4-one with isoniazid and subsequent reaction with different aryl/heterocyclic aldehydes. The structures of newly synthesized compounds were confirmed on the basis of physical and spectral data. In anti-tubercular screening, compound 3j was found to be highly active against both H(37)Rv strain and MDR strain (DKU 156) with MIC values of 0.625 and 0.3125 A mu g/mL, respectively.

  DOI：

  10.1007/s00044-014-1020-2
• 作为产物：
  描述：

  邻氨基苯甲酸 在 溶剂黄146 作用下， 反应 7.0h， 生成 N-(2-methyl-4-oxoquinazolin-3-(4H)-yl)pyridine-4-carboxamide
  参考文献：
  名称：

  Hemalatha; Kumar, M. Suresh; Girija, Indian Journal of Heterocyclic Chemistry, 2014, vol. 24, # 1, p. 35 - 40

  摘要：

  DOI：

文献信息

• Hemalatha; Kumar, M. Suresh; Girija, Indian Journal of Heterocyclic Chemistry, 2014, vol. 24, # 1, p. 35 - 40
  作者：Hemalatha、Kumar, M. Suresh、Girija

  DOI：——

  日期：——
• Synthesis of novel isoniazid incorporated styryl quinazolinones as anti-tubercular agents against INH sensitive and MDR M. tuberculosis strains
  作者：Reddy Raghunath Babu、K. Naresh、Alvala Ravi、B. Madhava Reddy、V. Harinadha Babu

  DOI：10.1007/s00044-014-1020-2

  日期：2014.10

  New series of isoniazid incorporated 2-styrylquinazolinone derivatives were synthesized by condensing 2-methyl-4H-3,1-benzoxazin-4-one with isoniazid and subsequent reaction with different aryl/heterocyclic aldehydes. The structures of newly synthesized compounds were confirmed on the basis of physical and spectral data. In anti-tubercular screening, compound 3j was found to be highly active against both H(37)Rv strain and MDR strain (DKU 156) with MIC values of 0.625 and 0.3125 A mu g/mL, respectively.