Chemical Components in the PDB

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7L4 : Summary

Code

7L4

One-letter code

X

Molecule name

2-PHENYLQUINOLIN-4-OL

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 2-phenylquinolin-4-ol

Formula

C15 H11 N O

Formal charge

0

Molecular weight

221.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Oc1cc(nc2ccccc12)c3ccccc3
SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)c2cc(c3ccccc3n2)O
Canonical SMILES CACTVS 3.352 Oc1cc(nc2ccccc12)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)c2cc(c3ccccc3n2)O

IUPAC InChI

InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)

IUPAC InChI key

JGABMVVOXLQCKZ-UHFFFAOYSA-N
7L4

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned