Chemical Components in the PDB

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FZ1 : Summary

Code

FZ1

One-letter code

X

Molecule name

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline
OpenEye OEToolkits 1.7.6 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-yl-quinazoline

Formula

C24 H23 N5 O

Formal charge

0

Molecular weight

397.472 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC3)cccc4)c5ncccc5
SMILES CACTVS 3.370 COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5
SMILES OpenEye OEToolkits 1.7.6 COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5
Canonical SMILES CACTVS 3.370 COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5

IUPAC InChI

InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3

IUPAC InChI key

BNLATJNUBANGFF-UHFFFAOYSA-N
FZ1

wwPDB Information

Atom count

53 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-11

Last modified at

2013-04-26

Status

Released

Obsoleted

Not Assigned