N-quinolin-6-ylbenzamide

N-quinolin-6-ylbenzamide bmse011146 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C16H12N2O

Natural Isotopic Abundance Mass: 248.27927999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 248.094963014
  • C13N14: 264.1486404220003
  • C12N15: 250.0890328
  • C13N15: 266.1427102080004

InChI string: InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)

IUPAC: N-quinolin-6-ylbenzamide

wwPDB CCD: LWD

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)