54582270 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 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 6 6 7 7 8 8 8 9 9 10 11 11 12 13 13 13 14 15 15 16 17 18 20 20 21 21 22 22 23 23 24 24 24 25 26 28 28 28 16 25 17 26 19 27 28 27 9 11 10 12 19 24 34 10 14 15 12 16 17 14 18 19 29 18 30 20 21 31 22 32 23 33 25 35 26 36 27 37 38 39 40 41 42 43 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 2 1 2 1 1 1 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 12.5077 11.6987 6.3359 2.868 3.7282 9.8622 9.8622 5.4641 8.9961 8.9961 10.7282 10.7282 7.1961 8.1022 8.1022 11.5942 11.5942 7.1961 6.332 11.6987 12.5077 12.6769 13.1769 4.6 13.1769 12.6769 3.732 2 8.1093 8.1093 6.6604 11.238 12.6366 5.4617 12.9291 13.7935 4.2033 5.0003 13.7935 12.9291 2.3079 1.4619 1.6921 -0.5933 1.9945 -2.0241 -1.0375 0.4658 -1 1 -0.5275 -0.5 0.5 -0.5 0.5 -0.5208 -1.0347 1.0347 -1 1 0.5208 -1.0241 -1.9945 0.5933 -2.2024 1.3364 -1.0308 -1.3364 2.2024 -0.5342 -0.5408 -1.6546 1.6546 0.8329 -2.4094 -0.0132 0.0925 -2.7688 1.2716 -1.5073 -1.5042 -1.2716 2.7688 -0.0027 -0.2329 -1.079 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 6 6 7 7 9 9 10 11 13 13 15 16 17 20 21 22 23 16 25 17 26 9 11 10 12 10 14 15 12 14 18 18 20 21 22 23 25 26 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 574 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 00000371C07B38000000000000000000000000000001224000003C4000000000000000B1FE00001E00100000000C0CE19E0632CCB2C81440A803ADF2DC048288242732200898A1BE7CD80E66FAC4B5BB9739A8E6C611D8E9C7DFD9A39E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[[2,3-bis(2-furyl)quinoxaline-6-carbonyl]amino]acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[[2,3-bis(2-furanyl)-6-quinoxalinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[[2,3-bis(furan-2-yl)quinoxaline-6-carbonyl]amino]acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[[2,3-bis(furan-2-yl)quinoxaline-6-carbonyl]amino]acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbonylamino]ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[2,3-bis(2-furyl)quinoxaline-6-carbonyl]amino]acetic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H15N3O5/c1-26-17(24)11-21-20(25)12-6-7-13-14(10-12)23-19(16-5-3-9-28-16)18(22-13)15-4-2-8-27-15/h2-10H,11H2,1H3,(H,21,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FVMUAEWXYQMDEU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.10117059 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H15N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC(=O)CNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC(=O)CNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.10117059 28 0 0 0 0 0 0 0 1 -1