Chemical Components in the PDB

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HNQ : Summary

Code

HNQ

One-letter code

X

Molecule name

5-nitroquinolin-8-ol

Synonyms

NITROXOLINE

Systematic names

ProgramVersionName
ACDLabs 12.01 5-nitroquinolin-8-ol
OpenEye OEToolkits 1.7.0 5-nitroquinolin-8-ol

Formula

C9 H6 N2 O3

Formal charge

0

Molecular weight

190.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [O-][N+](=O)c1ccc(O)c2ncccc12
SMILES CACTVS 3.370 Oc1ccc(c2cccnc12)[N+]([O-])=O
SMILES OpenEye OEToolkits 1.7.0 c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]
Canonical SMILES CACTVS 3.370 Oc1ccc(c2cccnc12)[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]

IUPAC InChI

InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H

IUPAC InChI key

RJIWZDNTCBHXAL-UHFFFAOYSA-N
HNQ

wwPDB Information

Atom count

20 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-05-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned