Chemical Components in the PDB

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07K : Summary

Code

07K

One-letter code

X

Molecule name

8-methylquinolin-4-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 8-methylquinolin-4-amine
OpenEye OEToolkits 1.7.2 8-methylquinolin-4-amine

Formula

C10 H10 N2

Formal charge

0

Molecular weight

158.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1ccc(c2cccc(c12)C)N
SMILES CACTVS 3.370 Cc1cccc2c(N)ccnc12
SMILES OpenEye OEToolkits 1.7.2 Cc1cccc2c1nccc2N
Canonical SMILES CACTVS 3.370 Cc1cccc2c(N)ccnc12
Canonical SMILES OpenEye OEToolkits 1.7.2 Cc1cccc2c1nccc2N

IUPAC InChI

InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12)

IUPAC InChI key

TVZPXEZTWRAIID-UHFFFAOYSA-N
07K

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-09-29

Last modified at

2011-10-21

Status

Released

Obsoleted

Not Assigned