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HBQ

Summary
Name:ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
Formula:C14 H17 F N2 O3
Formal charge:0
Formula weight:280.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-methylethyl (2S)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
OpenEye OEToolkits1.5.0propan-2-yl (2S)-2-ethyl-7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc2c(c1)N(C(=O)OC(C)C)C(C(=O)N2)CC
SMILES_CANONICALCACTVS3.341CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O
SMILESCACTVS3.341CC[CH]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F
SMILESOpenEye OEToolkits1.5.0CCC1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F
InChIInChI1.03InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyInChI1.03KELNNWMENBUHNS-NSHDSACASA-N

222415

PDB entries from 2024-07-10

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