54585164 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 48 49 50 51 8 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 6 1 1 1 1 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 10 11 11 12 13 14 14 14 15 15 16 17 17 19 20 21 22 22 23 23 24 24 25 25 26 26 27 28 28 29 29 30 31 32 32 32 19 30 20 31 21 32 18 8 11 9 12 14 18 38 9 13 15 13 16 18 12 19 20 33 17 34 35 16 36 37 21 22 23 24 25 26 39 28 40 29 41 27 42 27 43 44 30 45 31 46 47 48 49 50 51 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 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 48 49 50 51 12.5116 11.7026 4.5961 6.3397 9.866 9.866 5.4679 9 9 7.2 10.732 10.732 8.106 4.6038 8.106 7.2 3.7359 6.3359 11.5981 11.5981 3.732 2.8718 11.7026 12.5116 2.8641 2.0038 2 12.6807 13.1807 13.1807 12.6807 4.5923 8.1132 4.2071 5.0042 8.1132 6.6642 5.4655 2.8742 11.2418 12.6405 2.8617 1.4681 1.4619 12.9329 13.7973 13.7973 12.9329 5.2123 4.5899 3.9723 -0.5933 1.9945 0.9692 -2.0241 -1 1 -0.5275 -0.5 0.5 -0.5208 -0.5 0.5 -1.0347 -1.0308 1.0347 0.5208 -0.5342 -1.0241 -1 1 0.4658 -1.0375 -1.9945 0.5933 0.9625 -0.5408 0.4591 -2.2024 1.3364 -1.3364 2.2024 1.9692 -1.6546 -1.5073 -1.5042 1.6546 0.8329 0.0925 -1.6575 -2.4094 -0.0132 1.5825 -0.8529 0.7671 -2.7688 1.2716 -1.2716 2.7688 1.9715 2.5892 1.9668 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 1 1 2 2 5 5 6 6 8 8 9 10 10 11 15 17 17 19 20 21 22 23 24 25 26 28 29 19 30 20 31 8 11 9 12 9 13 15 13 16 12 16 21 22 23 24 25 26 28 29 27 27 30 31 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 634 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001224000003C6080000000000000B1FE00001E00100000000C0CE19E0632C6B2C81440A803AD72D4048288242732200898A1BE7CD80E66FAC4B5BB9739A8E6C611D8E9C7DFD9A39E08000040000800201000008000100040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)-N-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furanyl)-N-[(2-methoxyphenyl)methyl]-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(furan-2-yl)-<I>N</I>-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(furan-2-yl)-N-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(furan-2-yl)-N-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)-N-o-anisyl-quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H19N3O4/c1-30-20-7-3-2-6-17(20)15-26-25(29)16-10-11-18-19(14-16)28-24(22-9-5-13-32-22)23(27-18)21-8-4-12-31-21/h2-14H,15H2,1H3,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GBXNGLJUFSXPCX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.13755610 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H19N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 90.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.13755610 32 0 0 0 0 0 0 0 1 -1