Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

N43

Summary
Name:5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C20 H20 N2 O5
Formal charge:0
Formula weight:368.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
OpenEye OEToolkits2.0.75-methoxy-~{N}-[2-(2-methoxyphenoxy)ethyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12
InChIInChI1.06InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyInChI1.06NXFNSWGPJUOQPY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c23
SMILESCACTVS3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c23
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)OC
SMILESOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)OC

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon