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QDI

Summary
Name:6-fluoroquinolin-4-amine
Formula:C9 H7 F N2
Formal charge:0
Formula weight:162.164 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-fluoroquinolin-4-amine
OpenEye OEToolkits2.0.76-fluoranylquinolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc2nccc(N)c2c1
InChIInChI1.03InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
InChIKeyInChI1.03HDANYIGFTBVIBA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccnc2ccc(F)cc12
SMILESCACTVS3.385Nc1ccnc2ccc(F)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1F)c(ccn2)N
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1F)c(ccn2)N

221051

PDB entries from 2024-06-12

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