X0L

4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione

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

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1 entries where X0L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of X0L

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Chemical Component Summary
Name	4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione
Systematic Name (OpenEye OEToolkits)	4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione
Formula	C₁₆ H₁₄ N₂ O₂
Molecular Weight	266.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)CN2c3ccccc3NC(=O)C2=O
Canonical SMILES	CACTVS	3.385	Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)CN2c3ccccc3NC(=O)C2=O
InChI	InChI	1.06	InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKey	InChI	1.06	CDBRNCZLZWKJSM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44122468

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.