4FS

quinolin-3-amine

Created:	2015-03-17
Last modified:	2015-08-12

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3 entries where 4FS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	11

2D diagram of 4FS

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Chemical Component Summary
Name	quinolin-3-amine
Systematic Name (OpenEye OEToolkits)	quinolin-3-amine
Formula	C₉ H₈ N₂
Molecular Weight	144.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(N)cc1ccccc1n2
SMILES	CACTVS	3.385	Nc1cnc2ccccc2c1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)cc(cn2)N
Canonical SMILES	CACTVS	3.385	Nc1cnc2ccccc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)cc(cn2)N
InChI	InChI	1.03	InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
InChIKey	InChI	1.03	SVNCRRZKBNSMIV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11375
ChEMBL	CHEMBL80298
CCDC/CSD	SECQEY
COD	2236168

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.