2-Amino-6-{[(4-Nitrophenyl)(Prop-2-Yn-1-Yl)Amino]Methyl}Quinazolin-4-Ol

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Properties Simple | Detailed

Formula C18H16N5O3+
IUPAC Name 2-amino-6-[(4-nitro-n-prop-2-ynyl-anilino)methyl]quinazolin-1-ium-3-id-4-one
Molecular Mass 350.351 g·mol−1
Heat of Formation 361.2 ± 16.7 kJ·mol−1
Dipole Moment 15.54 ± 1.08 D
Volume 396.97 Å 3
Surface Area 351.12 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-(((4-nitrophenyl)-2-propynylamino)methyl)-4(3h)quinazolinone
  • 2-amino-6-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1h-quinazolin-4-one
  • 2-amino-6-[[(4-nitrophenyl)-prop-2-ynylamino]methyl]-1h-quinazolin-4-one
  • 2-amino-6-[[(4-nitrophenyl)-propargyl-amino]methyl]-1h-quinazolin-4-one
  • 4(1h)-quinazolinone, 2-amino-6-(((4-nitrophenyl)-2-propynylamino)methyl)-
  • pd 130883
CAS Number(s)
  • 123685-36-9
InChIKey MNUZJESDLXCPRG-UHFFFAOYSA-N
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