JCF

8-hydroxy-2-methylquinoline-6-carboxamide

Created:	2014-12-04
Last modified:	2015-10-14

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1 entries where JCF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of JCF

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Chemical Component Summary
Name	8-hydroxy-2-methylquinoline-6-carboxamide
Systematic Name (OpenEye OEToolkits)	2-methyl-8-oxidanyl-quinoline-6-carboxamide
Formula	C₁₁ H₁₀ N₂ O₂
Molecular Weight	202.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cc(O)c2nc(ccc2c1)C)N
SMILES	CACTVS	3.385	Cc1ccc2cc(cc(O)c2n1)C(N)=O
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc2cc(cc(c2n1)O)C(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc2cc(cc(O)c2n1)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc2cc(cc(c2n1)O)C(=O)N
InChI	InChI	1.03	InChI=1S/C11H10N2O2/c1-6-2-3-7-4-8(11(12)15)5-9(14)10(7)13-6/h2-5,14H,1H3,(H2,12,15)
InChIKey	InChI	1.03	CTRBRVRHXAPYCD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91936949
ChEMBL	CHEMBL3916938

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.