1-[4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-1-Piperazinyl]-5-(4-Azido-3-Iodophenyl)-1-Pentanone

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Properties Simple | Detailed

Formula C25H31IN8O3
IUPAC Name 1-[4-(4-amino-6,7-dimethoxy-quinazoline-1,3-diium-4a-id-2-yl)piperazin-1-yl]-5-(4-azido-3-iodo-phenyl)pentan-1-one
Molecular Mass 618.470 g·mol−1
Heat of Formation 156.2 ± 16.7 kJ·mol−1
Dipole Moment 0.64 ± 1.08 D
Volume 631.78 Å 3
Surface Area 497.21 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(4-azido-3-iodophenyl)pentan-1-one
  • 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodophenyl)pentan-1-one
  • 4-amino-6,7-dimethoxy-2-(4-(5-(3-iodo-4-azidophenyl)pentanoyl)-1-piperazinyl)quinazoline
  • 4-amino-6,7-dimethoxy-2-(4-(5-(4-azido-3-iodophenyl)pentanoyl)-1-piperazinyl)quinazoline
  • 4-apdq
  • piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(4-(4-azidophenyl)-5-(iodo-125i)-1-oxopentyl)-
CAS Number(s)
  • 87620-10-8
InChIKey JJRDDOHJXXCEMX-UHFFFAOYSA-N
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