Chemical Components in the PDB

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QUJ : Summary

Code

QUJ

One-letter code

X

Molecule name

8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid

Formula

C14 H16 N2 O3

Formal charge

0

Molecular weight

260.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)COc1cc(nc2c(N)cccc12)C(O)=O
SMILES OpenEye OEToolkits 2.0.5 CC(C)COc1cc(nc2c1cccc2N)C(=O)O
Canonical SMILES CACTVS 3.385 CC(C)COc1cc(nc2c(N)cccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 CC(C)COc1cc(nc2c1cccc2N)C(=O)O

IUPAC InChI

InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18)

IUPAC InChI key

UQMUZAYVJKDBFB-UHFFFAOYSA-N
QUJ

wwPDB Information

Atom count

35 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-24

Last modified at

2017-02-24

Status

Released

Obsoleted

Not Assigned