Cis-1-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-4-(2-Furanylcarbonyl)Decahydroquinoxaline

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Properties Simple | Detailed

Formula C23H27N5O4
IUPAC Name [(4as,8ar)-4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(2-furyl)methanone
Molecular Mass 437.492 g·mol−1
Heat of Formation -276.5 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 501.47 Å 3
Surface Area 429.57 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(4as,8ar)-4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(2-furyl)methanone
  • [(4as,8ar)-4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(2-furyl)methanone
  • [(4as,8ar)-4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-furan-2-yl-methanone
  • [(4as,8ar)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-furan-2-ylmethanone
InChIKey XBRXTUGRUXGBPX-SJORKVTESA-N
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