Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

N3R

概要
表記:5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C19 H17 F N2 O4
電荷:0
化学式量:356.348 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.015-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
OpenEye OEToolkits2.0.75-fluoranyl-~{N}-[2-(2-methoxyphenoxy)ethyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21
InChIInChI1.06InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyInChI1.06HLMOMNRZAYBAJZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23
SMILESCACTVS3.385COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F
SMILESOpenEye OEToolkits2.0.7COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F

222926

件を2024-07-24に公開中

PDB statisticsPDBj update infoContact PDBjnumon