7-(Benzyloxy)-6-N-Butyl-3-Methoxycarbonyl-4-Quinolone

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Properties Simple | Detailed

Formula C22H38NO4+
IUPAC Name methyl 6-butyl-7-(cyclohexylmethoxy)-4-oxo-1,2,5,8-tetrahydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylate
Molecular Mass 380.541 g·mol−1
Heat of Formation -517.5 ± 16.7 kJ·mol−1
Dipole Moment 7.19 ± 1.08 D
Volume 442.36 Å 3
Surface Area 393.45 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
  • 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-3-quinolinecarboxylic acid methyl ester
  • 6-butyl-4-oxo-7-(phenylmethoxy)-1h-quinoline-3-carboxylic acid methyl ester
  • 7-(benzyloxy)-6-butyl-4-keto-1h-quinoline-3-carboxylic acid methyl ester
  • ay 20,385
  • ay 20385
  • d05144
  • ici 55,052
  • ici 55052
  • methyl 6-butyl-4-oxo-7-(phenylmethoxy)-1h-quinoline-3-carboxylate
  • methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate
  • methyl benzoquate
  • nequinate
  • nequinate (usan)
CAS Number(s)
  • 13997-19-8
InChIKey NNOPDLNHPOLRRE-UHFFFAOYSA-N
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