54583241 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 8 8 8 8 7 7 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 2 2 3 3 4 5 5 6 6 7 7 8 9 9 10 11 12 13 13 14 14 15 15 16 17 17 18 18 19 19 20 20 22 23 24 24 24 11 22 12 23 21 24 21 7 9 8 10 8 11 12 10 13 14 17 18 15 25 16 26 16 21 27 19 28 20 29 22 30 23 31 32 33 34 35 36 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 2 2 1 2 1 1 1 1 1 1 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 9.9078 9.0987 2.8641 3.7359 7.2622 7.2622 8.1282 8.1282 6.3961 6.3961 8.9942 8.9942 5.5022 5.5022 4.5961 4.5961 9.0987 9.9078 10.0769 10.5769 3.732 10.5769 10.0769 2 5.5094 5.5094 4.0604 8.638 10.0367 10.3291 11.1935 11.1935 10.3291 1.6879 1.4643 2.3121 -0.5933 1.9945 -0.5275 -2.0241 -1 1 -0.5 0.5 -0.5 0.5 -1 1 -1.0347 1.0347 -0.5208 0.5208 -1.9945 0.5933 -2.2024 1.3364 -1.0241 -1.3364 2.2024 -1.0308 -1.6546 1.6546 0.8329 -2.4094 -0.0132 -2.7688 1.2716 -1.2716 2.7688 -0.4951 -1.3429 -1.5666 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 7 9 9 10 11 12 13 14 15 17 18 19 20 11 22 12 23 7 9 8 10 8 10 13 14 17 18 15 16 16 19 20 22 23 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 460 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B38000000000000000000000000000001224000003C4000000000000000B1FE00001E00000000000C0CA19E0232CCB2081440A803ACF2CC04828824273220089821B67CD80E66FAC4B5BB9739A8E6C011D8E9C7FFD9A39E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2,3-bis(2-furyl)quinoxaline-6-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furanyl)-6-quinoxalinecarboxylic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)quinoxaline-6-carboxylic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H12N2O4/c1-22-18(21)11-6-7-12-13(10-11)20-17(15-5-3-9-24-15)16(19-12)14-4-2-8-23-14/h2-10H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 REIOUVAQDXZASE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.07970687 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H12N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC(=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)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 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.07970687 24 0 0 0 0 0 0 0 1 -1