DQE

ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate

Created:	2021-12-17
Last modified:	2022-12-28

Find Related PDB Entry
2 entries where DQE 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	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of DQE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate
Systematic Name (OpenEye OEToolkits)	ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate
Formula	C₁₆ H₁₄ N₂ O₂
Molecular Weight	266.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)c1[nH]c2ccc(cc2c1)c3ccncc3
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cc2cc(ccc2[nH]1)c3ccncc3
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1[nH]c2ccc(cc2c1)c3ccncc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cc2cc(ccc2[nH]1)c3ccncc3
InChI	InChI	1.06	InChI=1S/C16H14N2O2/c1-2-20-16(19)15-10-13-9-12(3-4-14(13)18-15)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3
InChIKey	InChI	1.06	HESNUJSXTQZPIZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56850272
ChEMBL	CHEMBL1939870

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.