(3S)-10-[(8S)-8-Amino-6-Azaspiro[3.4]Oct-6-Yl]-9-Fluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-[1,4]Oxazino[2,3,4-Ij]Quinoline-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H22FN3O4
IUPAC Name (3s)-10-[(8s)-8-amino-6-azaspiro[3.4]oct-6-yl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Molecular Mass 387.405 g·mol−1
Heat of Formation -658.9 ± 16.7 kJ·mol−1
Dipole Moment 9.82 ± 1.08 D
Volume 434.11 Å 3
Surface Area 352.39 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 10-[(s)-8-amino-6-aza-spiro[3.4]oct-6-yl]-9-fluoro-2,3-dihydro-3(s)-methyl-7-oxo-7h-pyrido[1,2,3-de][1,4]benzoxazine-6-carbocylic acid
  • 7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-(8-amino-6-azaspiro(3.4)oct-6-yl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (s-(r*,r*))-
  • 7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10- (8-amino-6-azaspiro(3.4)oct-6-yl)-9-fluoro-3-methyl-7-oxo-, (s-(r*,r*))-
  • dv 7751
  • dv 7751a
CAS Number(s)
  • 151390-79-3
  • 129321-78-4
InChIKey UGGPRXAHUOKTKV-IINYFYTJSA-N
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