2,4,5-Quinolinetriol, 3,4-Dihydro-3-Methoxy-4-(4-Methoxyphenyl)-6-(3-Methyl-2-Buten-1-Yl)-, (3R,4R)-

Molecule SVG Image

Properties Simple | Detailed

Formula C22H25NO5
IUPAC Name (3r,4r)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-1,3-dihydroquinolin-2-one
Molecular Mass 383.438 g·mol−1
Heat of Formation -706.7 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 463.58 Å 3
Surface Area 370.82 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-1,3-dihydroquinolin-2-one
  • acon0_000817
  • acon1_002367
  • megxm0_000249
InChIKey ZRZQXSGEIJXJEO-RBBKRZOGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N