3-Amino-7-{(3R)-3-[(1S)-1-Aminoethyl]-1-Pyrrolidinyl}-1-Cyclopropyl-6-Fluoro-8-Methyl-2,4(1H,3H)-Quinazolinedione

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Properties Simple | Detailed

Formula C18H24FN5O2
IUPAC Name 3-amino-7-[(1r,3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-quinazoline-2,4-dione
Molecular Mass 361.414 g·mol−1
Heat of Formation -250.0 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 425.89 Å 3
Surface Area 354.79 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-7-[(3r)-3-[(1s)-1-aminoethyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
  • 3-amino-7-[(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-quinazoline-2,4-dione
  • 3-amino-7-[(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-quinazoline-2,4-quinone
  • 3-amino-7-[(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
InChIKey SMONLCFJGCJROJ-WDEREUQCSA-N
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