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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H32FN5O4
IUPAC Name [4-[4-amino-5-(4-fluorophenyl)-6,7-dimethoxy-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone
Molecular Mass 509.572 g·mol−1
Heat of Formation -563.5 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 594.57 Å 3
Surface Area 433.62 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 2.53 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F