Chemical Components in the PDB

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0FK : Summary

Code

0FK

One-letter code

X

Molecule name

8-hydroxyquinoline-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 8-hydroxyquinoline-2-carboxamide
OpenEye OEToolkits 1.7.6 8-oxidanylquinoline-2-carboxamide

Formula

C10 H8 N2 O2

Formal charge

0

Molecular weight

188.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1nc2c(O)cccc2cc1)N
SMILES CACTVS 3.370 NC(=O)c1ccc2cccc(O)c2n1
SMILES OpenEye OEToolkits 1.7.6 c1cc2ccc(nc2c(c1)O)C(=O)N
Canonical SMILES CACTVS 3.370 NC(=O)c1ccc2cccc(O)c2n1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2ccc(nc2c(c1)O)C(=O)N

IUPAC InChI

InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)

IUPAC InChI key

SDLPADBAAMHWQB-UHFFFAOYSA-N
0FK

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-04

Last modified at

2012-03-16

Status

Released

Obsoleted

Not Assigned