N-[7-(4-Fluorobenzyl)-9-Hydroxy-8-Oxo-7,8-Dihydro-6H-Pyrrolo[3,4-G]Quinolin-5-Yl]-N-Methylmethanesulfonamide

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Properties Simple | Detailed

Formula C20H18FN3O4S
IUPAC Name n-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methyl-methanesulfonamide
Molecular Mass 415.438 g·mol−1
Heat of Formation -574.5 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 455.94 Å 3
Surface Area 356.64 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • n-[7-(4-fluorobenzyl)-9-hydroxy-8-keto-6h-pyrrolo[4,3-g]quinolin-5-yl]-n-methyl-methanesulfonamide
  • n-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6h-pyrrolo[4,3-g]quinolin-5-yl]-n-methyl-methanesulfonamide
  • n-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6h-pyrrolo[4,3-g]quinolin-5-yl]-n-methylmethanesulfonamide
InChIKey RJWBOLLTMJMYNV-UHFFFAOYSA-N
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