54021785 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 8 8 8 8 7 7 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 2 2 3 3 4 5 5 6 6 7 7 8 9 9 10 11 11 12 12 13 13 14 15 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 25 25 26 26 26 27 27 14 23 15 24 28 44 28 7 9 8 10 8 11 13 10 14 15 12 29 16 17 16 30 18 19 31 22 32 20 33 21 34 23 35 24 36 25 37 38 39 26 27 40 41 42 28 43 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 2 1 1 1 2 1 2 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 17 12 32 22 25 37 3 1 25 22 26 27 28 43 3 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 13.0435 12.2345 2.5357 3.4075 10.3979 10.3979 9.5319 9.5319 11.2639 11.2639 8.6379 7.7318 8.6379 12.1299 12.1299 7.7318 6.8678 12.2345 13.0435 13.2126 13.7126 5.9998 13.7126 13.2126 5.1357 5.1396 4.2678 3.4037 8.6451 8.6451 7.1961 6.8702 11.7737 13.1724 13.4648 14.3292 5.9974 14.3292 13.4648 4.5196 5.142 5.7596 4.2654 2 -0.5933 1.9945 -0.5408 -2.0375 -1 1 -0.5 0.5 -0.5 0.5 -1.0347 -0.5208 1.0347 -1 1 0.5208 -1.0241 -1.9945 0.5933 -2.2024 1.3364 -0.5275 -1.3364 2.2024 -1.0308 -2.0308 -0.5342 -1.0375 -1.6546 1.6546 0.8329 -1.6442 -2.4094 -0.0132 -2.7688 1.2716 0.0925 -1.2716 2.7688 -2.0332 -2.6508 -2.0284 0.0858 -0.8529 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 8 8 8 8 1 1 1 2 2 5 5 6 6 7 7 8 9 11 12 13 14 15 17 18 19 20 21 25 14 23 15 24 7 9 8 10 8 11 13 10 12 16 16 18 19 22 20 21 23 24 27 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 620 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 00000371E07B38000000000000000000000000000001224000003C4000000000000000B1FE00001E00000800000C0CA19E0232CCB2081640A803ACF2CC04828824273220089821B67CD80E66FAC4B5BB9739A8E6C011D8F9C7DBD9A39E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-methyl-penta-2,4-dienoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-methylpenta-2,4-dienoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-methylpenta-2,4-dienoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-methylpenta-2,4-dienoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-methyl-penta-2,4-dienoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-methyl-penta-2,4-dienoic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H16N2O4/c1-14(12-20(25)26)6-7-15-8-9-16-17(13-15)24-22(19-5-3-11-28-19)21(23-16)18-4-2-10-27-18/h2-13H,1H3,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KZKXYJDZODHTEK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.11100700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H16N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=CC(=O)O)C=CC1=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 CC(=CC(=O)O)C=CC1=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 89.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.11100700 28 0 0 0 2 0 2 0 1 -1