(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl (3S)-3-Methyl-2-Oxo-1,2,3,4-Tetrahydro-3-Quinolinecarboxylate

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Properties Simple | Detailed

Formula C19H24N2O3
IUPAC Name [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (3s)-3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylate
Molecular Mass 328.405 g·mol−1
Heat of Formation -504.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 396.62 Å 3
Surface Area 308.52 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2-keto-3-methyl-1,4-dihydroquinoline-3-carboxylic acid [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • (3s)-3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • 3-quinolinecarboxylic acid, 1,2,3,4-tetrahydro-3-methyl-2-oxo-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(s)-endo)-
  • [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (3s)-3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylate
  • dau 5750
  • dau-5750
CAS Number(s)
  • 164575-86-4
InChIKey HQZQXIVKGOJOLP-YGTYGHESSA-N
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