Chemical Components in the PDB

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8OF : Summary

Code

8OF

One-letter code

X

Molecule name

N-(4-methoxyphenyl)quinolin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(4-methoxyphenyl)quinolin-4-amine

Formula

C16 H14 N2 O

Formal charge

0

Molecular weight

250.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(Nc2ccnc3ccccc23)cc1
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1)Nc2ccnc3c2cccc3
Canonical SMILES CACTVS 3.385 COc1ccc(Nc2ccnc3ccccc23)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1)Nc2ccnc3c2cccc3

IUPAC InChI

InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)

IUPAC InChI key

XEXJCSNBUIARJF-UHFFFAOYSA-N
8OF

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-22

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned