2N9

ethyl 4-aminoquinoline-3-carboxylate

Created:	2013-12-10
Last modified:	2013-12-18

Find Related PDB Entry
1 entries where 2N9 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	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of 2N9

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	ethyl 4-aminoquinoline-3-carboxylate
Systematic Name (OpenEye OEToolkits)	ethyl 4-azanylquinoline-3-carboxylate
Formula	C₁₂ H₁₂ N₂ O₂
Molecular Weight	216.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)c1c(c2ccccc2nc1)N
SMILES	CACTVS	3.385	CCOC(=O)c1cnc2ccccc2c1N
SMILES	OpenEye OEToolkits	1.7.6	CCOC(=O)c1cnc2ccccc2c1N
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1cnc2ccccc2c1N
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCOC(=O)c1cnc2ccccc2c1N
InChI	InChI	1.03	InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14)
InChIKey	InChI	1.03	IEJDBXDYSPBDTO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4570951

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.