2-({2-[(3R)-3-Amino-1-Piperidinyl]-4-Oxo-3(4H)-Quinazolinyl}Methyl)Benzonitrile

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Properties Simple | Detailed

Formula C21H21N5O+
IUPAC Name 2-[[2-[(3r)-3-amino-1-piperidyl]-4-oxo-quinazolin-3-yl]methyl]benzonitrile
Molecular Mass 359.424 g·mol−1
Heat of Formation 207.8 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 432.98 Å 3
Surface Area 351.41 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-[(3r)-3-amino-1-piperidinyl]-4-oxo-3-quinazolinyl]methyl]benzonitrile
  • 2-[[2-[(3r)-3-amino-1-piperidyl]-4-keto-quinazolin-3-yl]methyl]benzonitrile
  • 2-[[2-[(3r)-3-amino-1-piperidyl]-4-oxo-quinazolin-3-yl]methyl]benzonitrile
  • 2-[[2-[(3r)-3-aminopiperidin-1-yl]-4-oxo-quinazolin-3-yl]methyl]benzonitrile
InChIKey OYNURZXTLNNKAP-QGZVFWFLSA-N
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