{4-[4-Amino-5-(4-Fluorophenyl)-6,7-Dimethoxy-2-Quinolinyl]-1,4-Diazepan-1-Yl}(4-Morpholinyl)Methanone

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Properties Simple | Detailed

Formula C23H18FN5O4
IUPAC Name n-[(2e)-4-[(z)-[2-cyano-3-[(2r)-2-(fluoromethyl)cyclopropyl]-4,5-dioxo-cyclohex-2-en-1-ylidene]amino]-2-prop-1-ynylimino-but-3-ynyl]-1,4-oxazine-4-carboxamide
Molecular Mass 447.419 g·mol−1
Heat of Formation 2429.7 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 446.04 Å 3
Surface Area 375.64 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -2.95 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[4-amino-5-(4-fluorophenyl)-6,7-dimethoxy-2-quinolyl]-1,4-diazepan-1-yl]-morpholinomethanone
  • [4-[4-amino-5-(4-fluorophenyl)-6,7-dimethoxy-quinolin-2-yl]-1,4-diazepan-1-yl]-morpholin-4-yl-methanone
  • [4-[4-amino-5-(4-fluorophenyl)-6,7-dimethoxyquinolin-2-yl]-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
InChIKey IHSGHTLNHSMKII-UHFFFAOYSA-N
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