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CQA

Summary
Name:4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL
Synonyms:AMODIAQUINE
FLAVOQUINE
Formula:C20 H22 Cl N3 O
Formal charge:0
Formula weight:355.861 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
OpenEye OEToolkits1.5.04-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC
SMILES_CANONICALCACTVS3.341CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
SMILESCACTVS3.341CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
SMILESOpenEye OEToolkits1.5.0CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
InChIInChI1.03InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyInChI1.03OVCDSSHSILBFBN-UHFFFAOYSA-N

227344

PDB entries from 2024-11-13

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