53383350 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 52 53 54 55 56 57 58 59 60 61 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 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 1 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 13 14 14 15 15 16 17 18 18 19 19 20 20 21 22 22 23 23 24 25 25 26 26 27 28 29 29 30 30 31 31 32 32 33 33 34 35 35 36 36 38 38 38 12 13 24 34 37 38 8 11 13 12 29 45 16 17 9 12 39 10 15 14 18 16 19 17 20 22 21 40 23 24 25 42 26 41 21 43 44 27 46 28 47 30 27 48 28 49 50 51 31 32 33 52 35 53 36 54 34 55 56 37 57 37 58 59 60 61 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 8 5 9 12 39 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 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6.134 9.5981 9.7026 2.5 7.866 6.5001 7.866 7.866 8.732 8.732 7 7 8.732 9.5981 9.5981 7 8.732 7.822 6.106 10.4641 10.4641 9.6141 6.106 9.5981 7.814 5.2 8.7161 5.2 5.5 10.5116 5 5 11.1807 10.6807 4 4 3.5 2 7.3291 9.5981 6.1132 7.2887 11.001 11.001 6.81 10.1546 6.1132 7.2759 4.6642 8.7185 4.6642 10.6405 5.31 5.31 11.7974 10.9329 3.69 3.69 1.4631 1.69 2.5369 -0.3166 0.6834 3.6779 -1.6826 0.6834 -1.6827 2.6834 -0.3166 -0.8166 -1.8166 1.1834 -0.8166 1.1834 -2.3166 -0.3166 2.1834 2.1834 -2.3234 0.6488 -1.8166 -0.8166 -3.3581 2.7181 2.6834 -3.365 1.1626 -3.8858 2.2042 -1.6826 2.2767 -2.5487 -0.8166 3.0198 3.8858 -2.5487 -0.8166 -1.6826 -2.5486 -0.0066 0.3034 0.0288 -2.0072 -2.1266 -0.5066 -2.2196 -3.6619 3.338 -3.673 0.8505 -4.5058 2.5163 1.6702 -3.0856 -0.2796 2.955 4.4522 -3.0856 -0.2796 -2.2386 -3.0856 -2.8586 8 8 8 8 8 8 3 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 3 3 5 5 7 7 8 9 9 10 10 11 11 13 14 14 15 16 18 19 20 22 23 24 25 26 29 29 30 31 32 33 35 36 24 34 11 13 16 17 12 10 15 14 18 16 19 17 20 22 21 23 25 26 21 27 28 30 27 28 31 32 33 35 36 34 37 37 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 884 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371E07B38000000000000000000000000000001200000003060C1820000000000C1D400001E00100000000C2CE1980632C6C3C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E987B8C8C08E80400200001000200080040000200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-(1-naphthyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-(4-methoxyphenyl)-2-(1-naphthalenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-<I>N</I>-(4-methoxyphenyl)-2-naphthalen-1-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-naphthalen-1-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-naphthalen-1-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-(1-naphthyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C31H23N3O4/c1-37-22-17-15-21(16-18-22)32-30(35)29(24-11-6-9-20-8-2-3-10-23(20)24)34-26-13-5-4-12-25(26)33-28(31(34)36)27-14-7-19-38-27/h2-19,29H,1H3,(H,32,35) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QRMDPVVHHIPDAN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 501.16885622 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C31H23N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 501.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC3=CC=CC=C32)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC3=CC=CC=C32)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 84.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 501.16885622 38 1 0 1 0 0 0 0 1 -1