QGR

(1P)-2-amino-6-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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1 entries where QGR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	21

2D diagram of QGR

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Chemical Component Summary
Name	(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-bromanyl-1-(2,6-dimethyl-3-oxidanyl-phenyl)pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula	C₁₉ H₁₆ Br N₅ O₂
Molecular Weight	426.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C
SMILES	CACTVS	3.385	Cc1ccc(O)c(C)c1n2c(N)c(C(N)=O)c3nc4cc(Br)ccc4nc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1n2c(c(c3c2nc4ccc(cc4n3)Br)C(=O)N)N)C)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(O)c(C)c1n2c(N)c(C(N)=O)c3nc4cc(Br)ccc4nc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1n2c(c(c3c2nc4ccc(cc4n3)Br)C(=O)N)N)C)O
InChI	InChI	1.03	InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
InChIKey	InChI	1.03	UYWAHTTZGWQUAI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	164575522

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