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- ChemComp-QNO: 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: QNO
NameName: 2-nonyl-4-hydroxyquinoline N-oxide

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Chemical information

Composition
Formula: C18H25NO2 / Number of atoms: 46 / Formula weight: 287.397 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: QNO / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentFeb 19, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04[O-][n+]2c1ccccc1c(O)cc2CCCCCCCCC
CACTVS 3.341CCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
OpenEye OEToolkits 1.5.0CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
OpenEye OEToolkits 1.5.0CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O

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InChI

InChI 1.03InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,20H,2-8,11H2,1H3

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InChIKey

InChI 1.03LMBFBUICIQJLPK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-nonylquinolin-4-ol 1-oxide
OpenEye OEToolkits 1.5.02-nonyl-1-oxido-quinolin-1-ium-4-ol

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PDB entries

Showing all 3 items

PDB-1nu1:
Crystal Structure of Mitochondrial Cytochrome bc1 Complexed with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO)

PDB-2e75:
Crystal Structure of the Cytochrome b6f Complex with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO) from M.laminosus

PDB-4h0l:
Cytochrome b6f Complex Crystal Structure from Mastigocladus laminosus with n-Side Inhibitor NQNO

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