Chemical Components in the PDB

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QAX : Summary

Code

QAX

One-letter code

X

Molecule name

6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol
OpenEye OEToolkits 2.0.7 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-ol

Formula

C17 H23 N3 O3

Formal charge

0

Molecular weight

317.383 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ncnc2cc(OCCCN3CCCCC3)c(OC)cc21
SMILES CACTVS 3.385 COc1cc2c(O)ncnc2cc1OCCCN3CCCCC3
SMILES OpenEye OEToolkits 2.0.7 COc1cc2c(cc1OCCCN3CCCCC3)ncnc2O
Canonical SMILES CACTVS 3.385 COc1cc2c(O)ncnc2cc1OCCCN3CCCCC3
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cc2c(cc1OCCCN3CCCCC3)ncnc2O

IUPAC InChI

InChI=1S/C17H23N3O3/c1-22-15-10-13-14(18-12-19-17(13)21)11-16(15)23-9-5-8-20-6-3-2-4-7-20/h10-12H,2-9H2,1H3,(H,18,19,21)

IUPAC InChI key

DMNQXENATQIQBJ-UHFFFAOYSA-N
QAX

wwPDB Information

Atom count

46 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-05

Last modified at

2022-11-25

Status

Released

Obsoleted

Not Assigned