4-({(3-Fluorobenzyl)[4-(2-Quinolinylmethoxy)Phenyl]Amino}Methyl)Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C31H25FN2O3
IUPAC Name 4-[[n-[(3-fluorophenyl)methyl]-4-(2-quinolylmethoxy)anilino]methyl]benzoic acid
Molecular Mass 492.540 g·mol−1
Heat of Formation -211.0 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 584.14 Å 3
Surface Area 484.66 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3-fluorobenzyl)-[4-(2-quinolylmethoxy)phenyl]amino]methyl]benzoic acid
  • 4-[[(3-fluorophenyl)methyl-[4-(2-quinolylmethoxy)phenyl]amino]methyl]benzoic acid
  • benzoic acid, 4-((((3-fluorophenyl)methyl)(4-(2-quinolinylmethoxy)phenyl)amino)methyl)-
  • eth 615
  • eth-615
CAS Number(s)
  • 133430-69-0
InChIKey KRCUWCAUDKTMPB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F