Chemical Components in the PDB

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VFH : Summary

Code

VFH

One-letter code

X

Molecule name

2-methyl-quinolin-4(1H)-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-methyl-1~{H}-quinolin-4-one

Formula

C10 H9 N O

Formal charge

0

Molecular weight

159.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1=CC(=O)c2ccccc2N1
SMILES OpenEye OEToolkits 2.0.7 CC1=CC(=O)c2ccccc2N1
Canonical SMILES CACTVS 3.385 CC1=CC(=O)c2ccccc2N1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1=CC(=O)c2ccccc2N1

IUPAC InChI

InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)

IUPAC InChI key

NWINIEGDLHHNLH-UHFFFAOYSA-N
VFH

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-17

Last modified at

2022-05-27

Status

Released

Obsoleted

Not Assigned