5-[(4'-Amino-5',8'-Difluoro-1H,1'H-Spiro[Piperidine-4,2'-Quinazolin]-1-Yl)Carbonyl]-2-Pyridinecarbonitrile

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Properties Simple | Detailed

Formula C19H16F2N6O
IUPAC Name 5-(4-amino-5,8-difluoro-spiro[1h-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
Molecular Mass 382.367 g·mol−1
Heat of Formation -83.6 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 424.29 Å 3
Surface Area 364.95 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-amino-5,8-difluoro-spiro[1h-quinazoline-2,4'-piperidine]-1'-carbonyl)picolinonitrile
  • 5-(4-amino-5,8-difluoro-spiro[1h-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
  • 5-(4-amino-5,8-difluoro-spiro[1h-quinazoline-2,4'-piperidine]-1'-yl)carbonylpyridine-2-carbonitrile
  • 5-(4-amino-5,8-difluorospiro[1h-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
  • 5-[(4-amino-5,8-difluoro-1'-spiro[1h-quinazoline-2,4'-piperidine]yl)-oxomethyl]-2-pyridinecarbonitrile
InChIKey GIZYIOOBBUHOBS-UHFFFAOYSA-N
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