V92

4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile

Created:	2022-08-29
Last modified:	2022-11-02

Find Related PDB Entry
1 entries where V92 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	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of V92

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-oxidanyl-2-oxidanylidene-1~{H}-quinoline-3-carbonitrile
Formula	C₁₀ H₆ N₂ O₂
Molecular Weight	186.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC=1c2ccccc2NC(=O)C=1C#N
SMILES	CACTVS	3.385	OC1=C(C#N)C(=O)Nc2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=C(C(=O)N2)C#N)O
Canonical SMILES	CACTVS	3.385	OC1=C(C#N)C(=O)Nc2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=C(C(=O)N2)C#N)O
InChI	InChI	1.06	InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChIKey	InChI	1.06	CRRUFISVDCIBAP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	54694513, 392103
ChEMBL	CHEMBL1975609

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.