[(2-Methyl-8-{[(4-Methylphenyl)Sulfonyl]Amino}-6-Quinolinyl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C19H18N2O5S
IUPAC Name 2-[[2-methyl-8-(p-tolylsulfonylamino)-6-quinolyl]oxy]acetic acid
Molecular Mass 386.422 g·mol−1
Heat of Formation -625.6 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 435.48 Å 3
Surface Area 359.39 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methyl-8-p-toluenesulfonamido-6-quinolyloxy)acetic acid
  • 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetic acid
  • 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyethanoic acid
  • 2-[[2-methyl-8-[(4-methylphenyl)sulfonylamino]-6-quinolyl]oxy]acetic acid
  • ethyl (2-methyl-8-p-toluenesulfonamido-6-quinolyloxy)acetate
  • zinquin, free acid
CAS Number(s)
  • 151606-29-0
InChIKey CGNKOBNGEFZRQU-UHFFFAOYSA-N
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