54586129 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 41 42 43 44 45 46 47 9 8 8 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 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 7 7 7 8 8 9 10 10 11 12 12 12 13 14 14 15 16 16 16 17 18 20 20 21 21 22 22 23 24 24 25 25 26 26 27 28 29 29 30 30 31 23 17 27 18 28 19 8 10 9 11 16 19 37 9 13 14 11 17 18 13 15 19 32 15 33 34 20 35 36 21 22 23 24 25 38 26 39 29 30 40 27 41 28 42 43 44 31 45 31 46 47 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 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 41 42 43 44 45 46 47 4.5961 12.5116 11.7026 6.3397 9.866 9.866 5.4679 9 9 10.732 10.732 7.2 8.106 8.106 7.2 4.6038 11.5981 11.5981 6.3359 3.7359 11.7026 12.5116 3.732 2.8718 12.6807 13.1807 13.1807 12.6807 2.8641 2.0038 2 8.1132 8.1132 6.6642 4.2071 5.0042 5.4655 11.2418 12.6405 2.8742 12.9329 13.7973 13.7973 12.9329 2.8617 1.4681 1.4619 0.9692 -0.5933 1.9945 -2.0241 -1 1 -0.5275 -0.5 0.5 -0.5 0.5 -0.5208 -1.0347 1.0347 0.5208 -1.0308 -1 1 -1.0241 -0.5342 -1.9945 0.5933 0.4658 -1.0375 -2.2024 1.3364 -1.3364 2.2024 0.9625 -0.5408 0.4591 -1.6546 1.6546 0.8329 -1.5073 -1.5042 0.0925 -2.4094 -0.0132 -1.6575 -2.7688 1.2716 -1.2716 2.7688 1.5825 -0.8529 0.7671 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 6 8 8 9 10 12 12 14 17 18 20 20 21 22 23 24 25 26 29 30 17 27 18 28 8 10 9 11 9 13 14 11 13 15 15 21 22 23 24 25 26 29 30 27 28 31 31 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 623 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001224000003C6080000000000000B1FE00001F00100000000C0CE19E0E30C4B2C81440A803AD72D4048288242732200898A1BE7CD80E66FAC4B5BB9739A8E6C611D8E9C7DFD9A39E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-fluorophenyl)methyl]-2,3-bis(2-furyl)quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-fluorophenyl)methyl]-2,3-bis(2-furanyl)-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(2-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-fluorobenzyl)-2,3-bis(2-furyl)quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H16FN3O3/c25-17-6-2-1-5-16(17)14-26-24(29)15-9-10-18-19(13-15)28-23(21-8-4-12-31-21)22(27-18)20-7-3-11-30-20/h1-13H,14H2,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HOEIOUPOJJDFMI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.11756954 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H16FN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 81.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.11756954 31 0 0 0 0 0 0 0 1 -1