Chemical Components in the PDB

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8ET : Summary

Code

8ET

One-letter code

X

Molecule name

~{N}-quinolin-5-ylpyridine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-quinolin-5-ylpyridine-3-carboxamide

Formula

C15 H11 N3 O

Formal charge

0

Molecular weight

249.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C(Nc1cccc2ncccc12)c3cccnc3
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3
Canonical SMILES CACTVS 3.385 O=C(Nc1cccc2ncccc12)c3cccnc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3

IUPAC InChI

InChI=1S/C15H11N3O/c19-15(11-4-2-8-16-10-11)18-14-7-1-6-13-12(14)5-3-9-17-13/h1-10H,(H,18,19)

IUPAC InChI key

OLVQCHMCFCRHSB-UHFFFAOYSA-N
8ET

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-01

Last modified at

2018-02-09

Status

Released

Obsoleted

Not Assigned