2ZQ

8-nitroquinoline

Created:	2013-09-20
Last modified:	2014-05-14

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1 entries where 2ZQ 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	11

2D diagram of 2ZQ

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Chemical Component Summary
Name	8-nitroquinoline
Systematic Name (OpenEye OEToolkits)	8-nitroquinoline
Formula	C₉ H₆ N₂ O₂
Molecular Weight	174.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1cccc2cccnc12
SMILES	CACTVS	3.385	[O-][N+](=O)c1cccc2cccnc12
SMILES	OpenEye OEToolkits	1.7.6	c1cc2cccnc2c(c1)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1cccc2cccnc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2cccnc2c(c1)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
InChIKey	InChI	1.03	OQHHSGRZCKGLCY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11830
ChEMBL	CHEMBL167727
CCDC/CSD	UPAJIF

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.