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- ChemComp-0FK: 8-hydroxyquinoline-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 0FK
NameName: 8-hydroxyquinoline-2-carboxamide

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Chemical information

Composition
Formula: C10H8N2O2 / Number of atoms: 22 / Formula weight: 188.183 / Formal charge: 0
Others

3vbv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0FK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VBV
History
Create componentJan 4, 2012
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / CompTox / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1ccc2cccc(O)c2n1
OpenEye OEToolkits 1.7.6c1cc2ccc(nc2c(c1)O)C(=O)N

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InChI

InChI 1.03InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)

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InChIKey

InChI 1.03SDLPADBAAMHWQB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.018-hydroxyquinoline-2-carboxamide
OpenEye OEToolkits 1.7.68-oxidanylquinoline-2-carboxamide

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PDB entries

Showing all 1 items

PDB-3vbv:
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design

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