Chemical Components in the PDB

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ZXZ : Summary

Code

ZXZ

One-letter code

X

Molecule name

1,4-dimethylquinolin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1,4-dimethylquinolin-2(1H)-one
OpenEye OEToolkits 1.7.0 1,4-dimethylquinolin-2-one

Formula

C11 H11 N O

Formal charge

0

Molecular weight

173.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2C=C(c1c(cccc1)N2C)C
SMILES CACTVS 3.370 CN1C(=O)C=C(C)c2ccccc12
SMILES OpenEye OEToolkits 1.7.0 CC1=CC(=O)N(c2c1cccc2)C
Canonical SMILES CACTVS 3.370 CN1C(=O)C=C(C)c2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.0 CC1=CC(=O)N(c2c1cccc2)C

IUPAC InChI

InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3

IUPAC InChI key

CEONKCOBRZOYJS-UHFFFAOYSA-N
ZXZ

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-06-29

Last modified at

2012-01-06

Status

Released

Obsoleted

Not Assigned