LWD

~{N}-quinolin-6-ylbenzamide

Created:2019-03-15
Last modified:  2020-04-29

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count33
Aromatic Bond Count17
2D diagram of LWD

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Chemical Component Summary

Name~{N}-quinolin-6-ylbenzamide
Systematic Name (OpenEye OEToolkits)~{N}-quinolin-6-ylbenzamide
FormulaC16 H12 N2 O
Molecular Weight248.279
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C(Nc1ccc2ncccc2c1)c3ccccc3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3
Canonical SMILESCACTVS3.385 O=C(Nc1ccc2ncccc2c1)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3
InChIInChI1.03 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)
InChIKeyInChI1.03 WQBDHSKBYRWNNN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 833617
ChEMBL CHEMBL1400038