(3S)-10-(3-Amino-3-Methyl-1-Azetidinyl)-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 C17H18FN3O4
IUPAC Name (2s)-6-(3-amino-3-methyl-azetidin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Mass 347.341 g·mol−1
Heat of Formation -632.2 ± 16.7 kJ·mol−1
Dipole Moment 8.01 ± 1.08 D
Volume 381.82 Å 3
Surface Area 332.1 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 10-[3-amino-3-methyl-1-azetidinyl]-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-(3-amino-3-methyl-1-azetidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (s)-
  • 9-fluoro-3-methyl-10-(3-amino-3-methylazetidin-1-yl)-7-oxo-2,3-dihydro-7h-pyrido-(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid
  • e 4497
  • e-4497
CAS Number(s)
  • 124668-23-1
InChIKey DJLDMUYZDOLNGQ-QMMMGPOBSA-N
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