6-(3-Chlorophenyl)-2-{[(2S)-3-(4-Hydroxyphenyl)-1-Methoxy-1-Oxo-2-Propanyl]Carbamoyl}-4-Quinolinecarboxylic Acid

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Formula C27H21ClN2O6
IUPAC Name 6-(3-chlorophenyl)-2-[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]quinoline-4-carboxylic acid
Molecular Mass 504.918 g·mol−1
Heat of Formation -726.2 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 569.23 Å 3
Surface Area 482.77 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(3-chlorophenyl)-2-[[(1s)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]cinchoninic acid
  • 6-(3-chlorophenyl)-2-[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]quinoline-4-carboxylic acid
  • 6-(3-chlorophenyl)-2-[[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxo-propan-2-yl]carbamoyl]quinoline-4-carboxylic acid
  • 6-(3-chlorophenyl)-2-[[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]-oxomethyl]-4-quinolinecarboxylic acid
InChIKey LTZGVONWBPMCBP-DEOSSOPVSA-N
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Elements H C Cl O N