ZRE

7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

Created:	2023-07-03
Last modified:	2024-03-06

Find Related PDB Entry
1 entries where ZRE is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of ZRE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Systematic Name (OpenEye OEToolkits)	7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-6-carboxylic acid
Formula	C₁₀ H₈ F N O₃
Molecular Weight	209.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1cc2CCC(=O)Nc2cc1F
SMILES	CACTVS	3.385	OC(=O)c1cc2CCC(=O)Nc2cc1F
SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1C(=O)O)F)NC(=O)CC2
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc2CCC(=O)Nc2cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1C(=O)O)F)NC(=O)CC2
InChI	InChI	1.06	InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)
InChIKey	InChI	1.06	SAJMBBKTNYDWGD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	43453281

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.