Chemical Components in the PDB

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9MK : Summary

Code

9MK

One-letter code

X

Molecule name

(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone

Formula

C17 H12 F N O2

Formal charge

0

Molecular weight

281.281 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc2nc(ccc2c1)C(=O)c3ccc(F)c(O)c3
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
Canonical SMILES CACTVS 3.385 Cc1ccc2nc(ccc2c1)C(=O)c3ccc(F)c(O)c3
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F

IUPAC InChI

InChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3

IUPAC InChI key

DIBIPWTWYDLKIZ-UHFFFAOYSA-N
9MK

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-06-08

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned