(Z)-2-methyl-3-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)quinazolin-4(3H)-one

• 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: (Z)-2-methyl-3-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)quinazolin-4(3H)-one
• 英文别名: 2-methyl-3-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]quinazolin-4-one
• 化学式: C₂₀H₁₇N₅O₂
• 分子量: 359.387
• InChiKey: DYBDENPZSYODOV-ATVHPVEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.59
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (Z)-2-methyl-3-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)quinazolin-4(3H)-one 、 lead acetate 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以32%的产率得到
  参考文献：
  名称：

  Spectral and theoretical study of 2-methyl-3-{[(Z)-3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino}quinazolin-4-one and its complexes with metal ions M(II)

  摘要：

  2-Methyl-3-{[(Z)-3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino}quinazolin-4-one was synthesized by condensation of 5-hydroxy-4-formyl-3-methyl-1-phenylpyrazole with N-amino-2-methylquinazolin-4-one and its structure and properties were studied by IR, H-1, C-13 NMR, 2D H-1 NMR (COSY) and electronic spectroscopy and mass-spectrometry. By the reaction of compound (III) with Cd(II), Zn(II), and Pb(II) acetates the intracomplex compounds of 1: 2 composition (metal: ligand) were obtained.

  DOI：

  10.1134/s1070363215070233
• 作为产物：
  描述：

  3-氨基-2-甲基-4(3H)喹唑啉酮 、 5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 在 溶剂黄146 作用下， 以 异丙醇 为溶剂， 反应 5.0h， 以68%的产率得到(Z)-2-methyl-3-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)quinazolin-4(3H)-one
  参考文献：
  名称：

  Spectral and theoretical study of 2-methyl-3-{[(Z)-3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino}quinazolin-4-one and its complexes with metal ions M(II)

  摘要：

  2-Methyl-3-{[(Z)-3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino}quinazolin-4-one was synthesized by condensation of 5-hydroxy-4-formyl-3-methyl-1-phenylpyrazole with N-amino-2-methylquinazolin-4-one and its structure and properties were studied by IR, H-1, C-13 NMR, 2D H-1 NMR (COSY) and electronic spectroscopy and mass-spectrometry. By the reaction of compound (III) with Cd(II), Zn(II), and Pb(II) acetates the intracomplex compounds of 1: 2 composition (metal: ligand) were obtained.

  DOI：

  10.1134/s1070363215070233