Chemical Components in the PDB

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0IN : Summary

Code

0IN

One-letter code

X

Molecule name

7-(pyridin-3-ylmethyl)quinolin-8-ol

Systematic names

ProgramVersionName
ACDLabs 11.02 7-(pyridin-3-ylmethyl)quinolin-8-ol
OpenEye OEToolkits 1.6.1 7-(pyridin-3-ylmethyl)quinolin-8-ol

Formula

C15 H12 N2 O

Formal charge

0

Molecular weight

236.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 Oc1c(ccc2cccnc12)Cc3cccnc3
SMILES CACTVS 3.352 Oc1c(Cc2cccnc2)ccc3cccnc13
SMILES OpenEye OEToolkits 1.7.0 c1cc2ccc(c(c2nc1)O)Cc3cccnc3
Canonical SMILES CACTVS 3.352 Oc1c(Cc2cccnc2)ccc3cccnc13
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2ccc(c(c2nc1)O)Cc3cccnc3

IUPAC InChI

InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2

IUPAC InChI key

DNRIDZXSDROVMC-UHFFFAOYSA-N
0IN

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-09-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned