WZR

(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one

Created:	2023-10-17
Last modified:	2024-03-27

Find Related PDB Entry
1 entries where WZR 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	31
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	12

2D diagram of WZR

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
Systematic Name (OpenEye OEToolkits)	(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula	C₁₅ H₁₃ N O₂
Molecular Weight	239.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2CC(=O)Nc3c2ccc(c3)O
Canonical SMILES	CACTVS	3.385	Oc1ccc2[C@H](CC(=O)Nc2c1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@H]2CC(=O)Nc3c2ccc(c3)O
InChI	InChI	1.06	InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1
InChIKey	InChI	1.06	QBMKHRHNYHHUAR-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	95166962

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.