Chemical Components in the PDB

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7VF : Summary

Code

7VF

One-letter code

X

Molecule name

4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol

Formula

C16 H13 N O2

Formal charge

0

Molecular weight

251.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(ccc1O)c2ccnc3cc(O)ccc23
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O
Canonical SMILES CACTVS 3.385 Cc1cc(ccc1O)c2ccnc3cc(O)ccc23
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O

IUPAC InChI

InChI=1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3

IUPAC InChI key

QXFYDRYRLOHSBD-UHFFFAOYSA-N
7VF

wwPDB Information

Atom count

32 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-19

Last modified at

2017-12-08

Status

Released

Obsoleted

Not Assigned