IHQ

2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one

Created:	2019-09-06
Last modified:	2020-01-15

Find Related PDB Entry
1 entries where IHQ 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	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of IHQ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
Systematic Name (OpenEye OEToolkits)	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
Formula	C₁₆ H₂₀ I N O₂
Molecular Weight	385.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCC1=C(I)C(=O)c2ccccc2N1O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCC1=C(C(=O)c2ccccc2N1O)I
Canonical SMILES	CACTVS	3.385	CCCCCCCC1=C(I)C(=O)c2ccccc2N1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCC1=C(C(=O)c2ccccc2N1O)I
InChI	InChI	1.03	InChI=1S/C16H20INO2/c1-2-3-4-5-6-11-14-15(17)16(19)12-9-7-8-10-13(12)18(14)20/h7-10,20H,2-6,11H2,1H3
InChIKey	InChI	1.03	KWUZRGREQVAAQR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145946005

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.