Chemical Components in the PDB

pdbe.org/chem
spacer

Q8A : Summary

Code

Q8A

One-letter code

X

Molecule name

quinolin-8-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 quinolin-8-amine
OpenEye OEToolkits 1.7.0 quinolin-8-amine

Formula

C9 H8 N2

Formal charge

0

Molecular weight

144.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cccc2cccc(N)c12
SMILES CACTVS 3.370 Nc1cccc2cccnc12
SMILES OpenEye OEToolkits 1.7.0 c1cc2cccnc2c(c1)N
Canonical SMILES CACTVS 3.370 Nc1cccc2cccnc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2cccnc2c(c1)N

IUPAC InChI

InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2

IUPAC InChI key

WREVVZMUNPAPOV-UHFFFAOYSA-N
Q8A

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-22

Last modified at

2012-03-16

Status

Released

Obsoleted

Not Assigned