X0H

methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate

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

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1 entries where X0H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of X0H

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Chemical Component Summary
Name	methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Systematic Name (OpenEye OEToolkits)	methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Formula	C₁₂ H₁₁ N O₃
Molecular Weight	217.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)CC1=CC(=O)Nc2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)CC1=CC(=O)Nc2c1cccc2
Canonical SMILES	CACTVS	3.385	COC(=O)CC1=CC(=O)Nc2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)CC1=CC(=O)Nc2c1cccc2
InChI	InChI	1.06	InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14)
InChIKey	InChI	1.06	KLDVSXHBYSMHNT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13548560

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.