55726438 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 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 26 27 27 28 28 29 29 30 30 31 12 13 15 9 11 15 8 12 35 13 24 39 14 20 10 13 32 12 33 34 16 17 14 18 19 20 21 36 22 37 23 38 25 40 41 26 42 26 43 25 44 27 28 45 46 29 47 30 48 31 49 31 50 51 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 8 5 10 13 32 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 6.3981 7.2641 6.3981 4.666 5.5321 8.1301 4.666 6.3981 4.666 6.3981 3.8 5.5321 7.2641 3.8 5.5321 7.2641 5.5321 2.9061 2.9061 5.5321 7.2641 5.5321 2 8.9962 2 6.3981 9.8622 8.9962 10.7282 9.8622 10.7282 6.3981 4.0555 4.454 4.9951 7.801 4.9951 2.9132 8.1301 2.9132 6.069 7.801 4.9951 1.4643 1.4643 6.3981 9.8622 8.4592 11.2651 9.8622 11.2651 0.9827 0.4827 1.9827 1.9827 -0.5173 -1.0173 3.9827 -1.0173 0.9827 -2.0173 2.4827 0.4827 -0.5173 3.4827 2.4827 -2.5173 -2.5173 1.948 4.0173 3.4827 -3.5173 -3.5173 2.4618 -0.5173 3.5035 -4.0173 -1.0173 0.4827 -0.5173 0.9827 0.4827 -0.3973 1.0903 0.4001 -0.8273 -2.2073 -2.2073 1.328 -1.6373 4.6373 3.7927 -3.8273 -3.8273 2.1498 3.8156 -4.6373 -1.6373 0.7927 -0.8273 1.6027 0.7927 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 10 10 11 11 14 15 16 17 18 19 21 22 23 24 24 27 28 29 30 11 15 14 20 13 16 17 14 18 19 20 21 22 23 25 26 26 25 27 28 29 30 31 31 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 682 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371E07BB0000000000000000000000000000000000000003060C1000000000000815000001E00100000000C28C1980430C083C00000A80235735400820000210200088881887488086032C095B1942008609600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-N,2-diphenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[1-oxo-2-(2-oxo-1-quinoxalinyl)ethyl]amino]-N,2-diphenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-<I>N</I>,2-diphenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-N,2-diphenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]-N,2-diphenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[2-(2-ketoquinoxalin-1-yl)acetyl]amino]-N,2-diphenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H20N4O3/c29-21(16-28-20-14-8-7-13-19(20)25-15-22(28)30)27-23(17-9-3-1-4-10-17)24(31)26-18-11-5-2-6-12-18/h1-15,23H,16H2,(H,26,31)(H,27,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QMWJCAQHLVWNIY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 412.15354051 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H20N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 412.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=CC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=CC3=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 90.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 412.15354051 31 1 0 1 0 0 0 0 1 -1