QGY

(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Created:2022-06-09
Last modified:  2022-07-27

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count21
2D diagram of QGY

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Chemical Component Summary

Name(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Systematic Name (OpenEye OEToolkits)2-azanyl-5-bromanyl-1-(2,6-dimethyl-3-oxidanyl-phenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
FormulaC19 H16 Br N5 O2
Molecular Weight426.267
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(=O)c1c2nc3c(Br)cccc3nc2n(c1N)c1c(C)ccc(O)c1C
SMILESCACTVS3.385Cc1ccc(O)c(C)c1n2c(N)c(C(N)=O)c3nc4c(Br)cccc4nc23
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1n2c(c(c3c2nc4cccc(c4n3)Br)C(=O)N)N)C)O
Canonical SMILESCACTVS3.385 Cc1ccc(O)c(C)c1n2c(N)c(C(N)=O)c3nc4c(Br)cccc4nc23
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(c(c1n2c(c(c3c2nc4cccc(c4n3)Br)C(=O)N)N)C)O
InChIInChI1.03 InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
InChIKeyInChI1.03 KZBOZXNEKFYHQT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 164575523