(2S,4R)-5,7-Dichloro-4-[(Phenylcarbamoyl)Amino]-1,2,3,4-Tetrahydro-2-Quinolinecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C17H15Cl2N3O3
IUPAC Name (2s,4r)-5,7-dichloro-4-(phenylcarbamoylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
Molecular Mass 380.225 g·mol−1
Heat of Formation -439.5 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 405.88 Å 3
Surface Area 354.96 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-5,7-dichloro-4-(phenylcarbamoylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
  • (2s,4r)-5,7-dichloro-4-[[oxo-(phenylamino)methyl]amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
  • 2-quinolinecarboxylic acid, 5,7-dichloro-1,2,3,4-tetrahydro-4-(((phenylamino)carbonyl)amino)-, trans-(+-)-
  • 4-trans-2-carboxy-5,7-dichloro-4-phenylaminocarbonylamino-1,2,3,4-tetrahydroquinoline
  • l 689560
  • l-689,560
  • l-689560
  • trans-2-carboxy-5,7-dichloro-4-(((phenylamino)carbonyl)amino)-1,2,3,4-tetrahydroquinoline
CAS Number(s)
  • 139051-78-8
InChIKey UCKHICKHGAOGAP-KGLIPLIRSA-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 Cl