BPU

7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one

Created: 2010-09-30
Last modified:  2012-02-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count24
Aromatic Bond Count11
2D diagram of BPU

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Chemical Component Summary

Name7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
Systematic Name (OpenEye OEToolkits)7-bromanyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
FormulaC11 H7 Br N2 O
Molecular Weight263.09
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Brc1cc2c(cc1)n3c(C(=O)N2)ccc3
SMILESCACTVS3.370Brc1ccc2n3cccc3C(=O)Nc2c1
SMILESOpenEye OEToolkits1.7.6c1cc2n(c1)-c3ccc(cc3NC2=O)Br
Canonical SMILESCACTVS3.370 Brc1ccc2n3cccc3C(=O)Nc2c1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc2n(c1)-c3ccc(cc3NC2=O)Br
InChIInChI1.03 InChI=1S/C11H7BrN2O/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10/h1-6H,(H,13,15)
InChIKeyInChI1.03 RNCKOJOKKQPZIB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16011744
ChEMBL CHEMBL1231450