Chemical Components in the PDB

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9MH : Summary

Code

9MH

One-letter code

X

Molecule name

2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide

Formula

C18 H14 F N3 O3

Formal charge

0

Molecular weight

339.32 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCC(=O)Nc1ccc2ccc(nc2c1)C(=O)c3ccc(F)c(O)c3
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN
Canonical SMILES CACTVS 3.385 NCC(=O)Nc1ccc2ccc(nc2c1)C(=O)c3ccc(F)c(O)c3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN

IUPAC InChI

InChI=1S/C18H14FN3O3/c19-13-5-2-11(7-16(13)23)18(25)14-6-3-10-1-4-12(8-15(10)22-14)21-17(24)9-20/h1-8,23H,9,20H2,(H,21,24)

IUPAC InChI key

HEOXKDDZAJDQPA-UHFFFAOYSA-N
9MH

wwPDB Information

Atom count

39 (25 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