QOX

1-oxo-1lambda~5~-quinoline

Created: 2022-09-14
Last modified:  2023-10-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count19
Aromatic Bond Count11
2D diagram of QOX

Chemical Component Summary

Name1-oxo-1lambda~5~-quinoline
Systematic Name (OpenEye OEToolkits)1-oxidanidylquinolin-1-ium
FormulaC9 H7 N O
Molecular Weight145.158
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01[O-][n+]1cccc2ccccc21
SMILESCACTVS3.385[O-][n+]1cccc2ccccc12
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)ccc[n+]2[O-]
Canonical SMILESCACTVS3.385 [O-][n+]1cccc2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)ccc[n+]2[O-]
InChIInChI1.06 InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyInChI1.06 GIIWGCBLYNDKBO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 15366
ChEMBL CHEMBL189783
ChEBI CHEBI:181573
CCDC/CSD WUBDOM, TIXKUH, FADXOA, SOWJAQ, VESDUV, SIPSOA, AYODUP, ZUBQEU, SIPSEQ, ZEFBOE, AYOFAX, TIXLAO