2-(1-Azepanylmethyl)-6-Iodo-3-(2-Methylphenyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C22H24IN3O+
IUPAC Name 2-(azepan-1-ylmethyl)-6-iodo-3-(o-tolyl)quinazolin-4-one
Molecular Mass 473.350 g·mol−1
Heat of Formation 111.4 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 472.06 Å 3
Surface Area 378.65 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((hexahydro-1h-azepin-1-yl)methyl)-6-iodo-3-(2-methylphenyl)-4(3h)-quinazolinone
  • 2-(1-azepanylmethyl)-6-iodo-3-(2-methylphenyl)-4-quinazolinone
  • 2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one
  • 2-homopiperidino-methyl-3-(2-tolyl)-4-(3h)-6-iodoquinazolone
  • 2-homopiperidinomethyl-3-(2-tolyl)-4(3h)-6-iodoquinazolone
  • 2-homopiperidinomethyl-3-(o-tolyl)-4(3h)-6-iodoquinazolone
  • 4(3h)-quinazolinone, 2-((hexahydro-1h-azepin-1-yl)methyl)-6-iodo-3-(2-methylphenyl)-
  • qz-16
CAS Number(s)
  • 80930-91-2
InChIKey CUSBTMBNTIPIBQ-UHFFFAOYSA-N
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