G3E

3-hydroxyquinolin-2(1H)-one

Created:	2009-02-03
Last modified:	2011-06-04

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1 entries where G3E 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 G3E

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Chemical Component Summary
Name	3-hydroxyquinolin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	3-hydroxy-1H-quinolin-2-one
Formula	C₉ H₇ N O₂
Molecular Weight	161.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C(O)=Cc1c(cccc1)N2
SMILES	CACTVS	3.341	OC1=Cc2ccccc2NC1=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C=C(C(=O)N2)O
Canonical SMILES	CACTVS	3.341	OC1=Cc2ccccc2NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C=C(C(=O)N2)O
InChI	InChI	1.03	InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
InChIKey	InChI	1.03	BERPCVULMUPOER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL146227
PubChem	818159
ChEMBL	CHEMBL146227
CCDC/CSD	ZZZERO01

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.