QG5

(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-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 Count40
Chiral Atom Count0
Bond Count43
Aromatic Bond Count21
2D diagram of QG5

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Chemical Component Summary

Name(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Systematic Name (OpenEye OEToolkits)2-azanyl-1-(2-methyl-5-oxidanyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
FormulaC18 H15 N5 O2
Molecular Weight333.344
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C
SMILESCACTVS3.385Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O
Canonical SMILESCACTVS3.385 Cc1ccc(O)cc1n2c(N)c(C(N)=O)c3nc4ccccc4nc23
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1n2c(c(c3c2nc4ccccc4n3)C(=O)N)N)O
InChIInChI1.03 InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25)
InChIKeyInChI1.03 ZHMCGBRGDVCXLS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3321809
PubChem 91933866
ChEMBL CHEMBL3321809