54586130 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 17 18 18 18 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 29 29 30 30 31 16 27 17 28 19 8 10 9 11 18 19 37 9 13 14 11 16 17 13 15 19 32 15 33 34 21 22 20 35 36 23 24 25 38 26 39 29 40 30 41 27 42 28 43 44 45 31 46 31 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 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 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 41 42 43 44 45 46 47 2 13.3795 12.5705 7.2077 10.7339 10.7339 6.3359 9.8679 9.8679 11.6 11.6 8.0679 8.974 8.974 8.0679 12.466 12.466 5.4718 7.2038 4.6038 12.5705 13.3795 3.7398 4.6 13.5487 14.0487 14.0487 13.5487 2.8718 3.732 2.868 8.9812 8.9812 7.5322 5.0751 5.8721 6.3335 12.1098 13.5085 3.7421 5.1357 13.8009 14.6653 14.6653 13.8009 2.3361 3.7296 0.9558 -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 1 -1.0308 -1.0241 -0.5342 -1.9945 0.5933 -1.0375 0.4658 -2.2024 1.3364 -1.3364 2.2024 -0.5408 0.9625 0.4591 -1.6546 1.6546 0.8329 -1.5073 -1.5042 0.0925 -2.4094 -0.0132 -1.6575 0.7779 -2.7688 1.2716 -1.2716 2.7688 -0.8529 1.5825 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 16 17 20 20 21 22 23 24 25 26 29 30 16 27 17 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 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 615 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-[(4-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-[(4-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>-[(4-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-[(4-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-[(4-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-(4-fluorobenzyl)-2,3-bis(2-furyl)quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H16FN3O3/c25-17-8-5-15(6-9-17)14-26-24(29)16-7-10-18-19(13-16)28-23(21-4-2-12-31-21)22(27-18)20-3-1-11-30-20/h1-13H,14H2,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZQYMOHZBRLRRAF-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=COC(=C1)C2=NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)N=C2C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=COC(=C1)C2=NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)N=C2C5=CC=CO5 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