Chemical Components in the PDB

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JCF : Summary

Code

JCF

One-letter code

X

Molecule name

8-hydroxy-2-methylquinoline-6-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 8-hydroxy-2-methylquinoline-6-carboxamide
OpenEye OEToolkits 1.7.6 2-methyl-8-oxidanyl-quinoline-6-carboxamide

Formula

C11 H10 N2 O2

Formal charge

0

Molecular weight

202.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1cc(O)c2nc(ccc2c1)C)N
SMILES CACTVS 3.385 Cc1ccc2cc(cc(O)c2n1)C(N)=O
SMILES OpenEye OEToolkits 1.7.6 Cc1ccc2cc(cc(c2n1)O)C(=O)N
Canonical SMILES CACTVS 3.385 Cc1ccc2cc(cc(O)c2n1)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1ccc2cc(cc(c2n1)O)C(=O)N

IUPAC InChI

InChI=1S/C11H10N2O2/c1-6-2-3-7-4-8(11(12)15)5-9(14)10(7)13-6/h2-5,14H,1H3,(H2,12,15)

IUPAC InChI key

CTRBRVRHXAPYCD-UHFFFAOYSA-N
JCF

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-12-04

Last modified at

2015-10-09

Status

Released

Obsoleted

Not Assigned