Chemical Components in the PDB

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CQL : Summary

Code

CQL

One-letter code

X

Molecule name

5-chloro-7-iodoquinolin-8-ol

Synonyms

Clioquinol

Systematic names

ProgramVersionName
ACDLabs 11.02 5-chloro-7-iodoquinolin-8-ol
OpenEye OEToolkits 1.6.1 5-chloro-7-iodo-quinolin-8-ol

Formula

C9 H5 Cl I N O

Formal charge

0

Molecular weight

305.5 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 Ic1c(O)c2ncccc2c(Cl)c1
SMILES CACTVS 3.352 Oc1c(I)cc(Cl)c2cccnc12
SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc(c(c2nc1)O)I)Cl
Canonical SMILES CACTVS 3.352 Oc1c(I)cc(Cl)c2cccnc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc(c(c2nc1)O)I)Cl

IUPAC InChI

InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

IUPAC InChI key

QCDFBFJGMNKBDO-UHFFFAOYSA-N
CQL

wwPDB Information

Atom count

18 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-10-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned