Chemical Components in the PDB

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L93 : Summary

Code

L93

One-letter code

X

Molecule name

6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
OpenEye OEToolkits 2.0.7 6-fluoranyl-~{N}-[(2~{R})-2-(2-methoxyphenoxy)propyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide

Formula

C20 H19 F N2 O4

Formal charge

0

Molecular weight

370.374 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
SMILES CACTVS 3.385 COc1ccccc1O[CH](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
SMILES OpenEye OEToolkits 2.0.7 CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC
Canonical SMILES CACTVS 3.385 COc1ccccc1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC

IUPAC InChI

InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1

IUPAC InChI key

LZQQUMOUOYPMFQ-GFCCVEGCSA-N
L93

wwPDB Information

Atom count

46 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-15

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned