4YO

6-bromo-3,4-dihydroquinoxalin-2(1H)-one

Created:	2015-06-25
Last modified:	2016-05-25

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1 entries where 4YO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 4YO

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Chemical Component Summary
Name	6-bromo-3,4-dihydroquinoxalin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	6-bromanyl-3,4-dihydro-1H-quinoxalin-2-one
Formula	C₈ H₇ Br N₂ O
Molecular Weight	227.058
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2CNc1cc(Br)ccc1N2
SMILES	CACTVS	3.385	Brc1ccc2NC(=O)CNc2c1
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1Br)NCC(=O)N2
Canonical SMILES	CACTVS	3.385	Brc1ccc2NC(=O)CNc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1Br)NCC(=O)N2
InChI	InChI	1.03	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
InChIKey	InChI	1.03	AFHCUZXZHPMRQJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66911307
ChEMBL	CHEMBL3818063

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