18593118 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 20 21 22 22 23 23 24 24 25 25 26 10 8 10 27 6 9 11 21 7 10 11 12 9 13 14 15 16 28 17 29 18 30 19 31 19 32 18 33 34 35 21 22 23 36 24 37 25 38 26 39 26 40 1 2 1 1 1 2 1 1 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 8.1301 6.3981 4.666 4.666 7.2641 5.5321 6.3981 3.8 3.8 5.5321 7.2641 6.3981 2.9061 2.9061 8.1301 7.2641 2 2 8.1301 8.1301 8.1301 7.2641 8.9962 7.2641 8.9962 8.1301 4.666 5.8612 2.9132 2.9132 8.6671 7.2641 1.4643 1.4643 8.6671 8.6671 6.7272 9.5331 6.7272 9.5331 -3.75 0.25 0.25 2.25 0.75 1.75 2.25 0.75 1.75 0.75 1.75 3.25 0.2153 2.2847 2.25 3.75 0.7292 1.7708 3.25 -0.75 0.25 -1.25 -1.25 -2.25 -2.25 -2.75 -0.37 3.56 -0.4046 2.9046 1.94 4.37 0.4171 2.0829 3.56 0.56 -0.94 -0.94 -2.56 -2.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 7 7 8 8 9 11 12 13 14 15 16 17 20 20 22 23 24 25 8 10 6 9 10 11 12 9 13 14 15 16 17 18 19 19 18 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 568 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B21000000000000000000000000000000000000003060C1000000000000815000001F00100000000C08C1980C30C082C00000A803357354008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-[(4-fluorophenyl)methyleneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-[(4-fluorophenyl)methylideneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-[(4-fluorophenyl)methylideneamino]phenyl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-[(4-fluorophenyl)methylideneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-[(4-fluorophenyl)methylideneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-[(4-fluorobenzylidene)amino]phenyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H14FN3O/c22-15-11-9-14(10-12-15)13-23-17-6-2-1-5-16(17)20-21(26)25-19-8-4-3-7-18(19)24-20/h1-13H,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LKTTUIAWCPUCMZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.11209024 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H14FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)N=CC4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)N=CC4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 53.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.11209024 26 0 0 0 0 0 0 0 1 -1