1-[4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-1-Piperazinyl]-4-(4-Aminophenyl)-1-Butanone

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Properties Simple | Detailed

Formula C24H30N6O3
IUPAC Name 1-[4-(4-amino-7,8-dihydro-6h-quinazoline-1,3-diium-6,7,8-triid-2-yl)piperazin-1-yl]-4-(4-aminophenyl)butan-1-one; methanone
Molecular Mass 450.533 g·mol−1
Heat of Formation -216.5 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 538.92 Å 3
Surface Area 474.23 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-(4-aminophenyl)butan-1-one
  • 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(4-aminophenyl)butan-1-one
  • 4-adapq
  • 4-amino-6,7-dimethoxy-2-(4-(4-(4-aminophenyl)butanoyl)-1-piperazinyl)quinazoline
CAS Number(s)
  • 147637-08-9
InChIKey RWIRGMFTSRJUKZ-UHFFFAOYSA-N
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