Chemical Components in the PDB

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F2Z : Summary

Code

F2Z

One-letter code

X

Molecule name

6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one

Formula

C11 H13 N O3

Formal charge

0

Molecular weight

207.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cc2CNC(=O)Cc2cc1OC
SMILES OpenEye OEToolkits 2.0.6 COc1cc2c(cc1OC)CNC(=O)C2
Canonical SMILES CACTVS 3.385 COc1cc2CNC(=O)Cc2cc1OC
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1cc2c(cc1OC)CNC(=O)C2

IUPAC InChI

InChI=1S/C11H13NO3/c1-14-9-3-7-5-11(13)12-6-8(7)4-10(9)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)

IUPAC InChI key

FRBTVJSVXIIDIG-UHFFFAOYSA-N
F2Z

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-22

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned