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733

Summary
Name:6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide
Formula:C18 H13 Cl3 F N3 O
Formal charge:0
Formula weight:412.673 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide
OpenEye OEToolkits1.9.26-fluoranyl-2-methyl-4-[[2,3,6-tris(chloranyl)phenyl]methylamino]quinoline-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(Cl)c(Cl)c1CNc2c3cc(F)cc(C(=O)N)c3nc(c2)C
InChIInChI1.03InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25)
InChIKeyInChI1.03CFRVEJULVHOSOC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c3cc(F)cc(C(N)=O)c3n1
SMILESCACTVS3.385Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c3cc(F)cc(C(N)=O)c3n1
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl
SMILESOpenEye OEToolkits1.9.2Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl

222415

건을2024-07-10부터공개중

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