Chemical Components in the PDB

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QUK : Summary

Code

QUK

One-letter code

X

Molecule name

8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid

Formula

C13 H15 N3 O3

Formal charge

0

Molecular weight

261.276 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCCCOc1cc(nc2c(N)cccc12)C(O)=O
SMILES OpenEye OEToolkits 2.0.5 c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN
Canonical SMILES CACTVS 3.385 NCCCOc1cc(nc2c(N)cccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN

IUPAC InChI

InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18)

IUPAC InChI key

QGMHWPPZJKLYHR-UHFFFAOYSA-N
QUK

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-24

Last modified at

2024-05-09

Status

Released

Obsoleted

Not Assigned