Chemical Components in the PDB

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HQY : Summary

Code

HQY

One-letter code

X

Molecule name

quinolin-8-ol

Synonyms

8-hydroxyquinoline

Systematic names

ProgramVersionName
ACDLabs 11.02 quinolin-8-ol
OpenEye OEToolkits 1.6.1 quinolin-8-ol

Formula

C9 H7 N O

Formal charge

0

Molecular weight

145.158 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 Oc1cccc2cccnc12
SMILES CACTVS 3.352 Oc1cccc2cccnc12
SMILES OpenEye OEToolkits 1.7.0 c1cc2cccnc2c(c1)O
Canonical SMILES CACTVS 3.352 Oc1cccc2cccnc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2cccnc2c(c1)O

IUPAC InChI

InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H

IUPAC InChI key

MCJGNVYPOGVAJF-UHFFFAOYSA-N
HQY

wwPDB Information

Atom count

18 (11 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

2021-03-01

Status

Released

Obsoleted

Not Assigned