Chemical Components in the PDB

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8HQ : Summary

Code

8HQ

One-letter code

X

Molecule name

8-hydroxyquinoline-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 8-hydroxyquinoline-4-carboxylic acid
OpenEye OEToolkits 1.9.2 8-oxidanylquinoline-4-carboxylic acid

Formula

C10 H7 N O3

Formal charge

0

Molecular weight

189.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c1c2cccc(O)c2ncc1
SMILES CACTVS 3.385 OC(=O)c1ccnc2c(O)cccc12
SMILES OpenEye OEToolkits 1.9.2 c1cc2c(ccnc2c(c1)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)c1ccnc2c(O)cccc12
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc2c(ccnc2c(c1)O)C(=O)O

IUPAC InChI

InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)

IUPAC InChI key

KPTUKANGPPVLMD-UHFFFAOYSA-N
8HQ

wwPDB Information

Atom count

21 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-12

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned