50746461 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 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 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 1 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 13 13 13 15 15 16 16 17 17 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 26 27 28 28 29 29 29 30 30 31 32 33 33 33 10 14 32 8 9 10 11 12 14 20 40 18 32 47 13 14 34 11 16 12 17 15 35 36 37 18 22 19 38 21 39 24 21 41 23 26 42 25 43 28 29 27 44 27 45 30 46 48 31 49 50 51 52 31 53 54 33 55 56 57 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 8 4 13 14 34 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 7.1962 3.732 5.4641 5.4641 5.4641 4.5981 6.3301 5.4641 4.5981 6.3301 4.5981 6.3301 6.3301 4.5981 7.1962 3.7041 3.7041 7.1962 2.7981 3.732 2.7981 8.0622 2.866 8.0622 8.9282 3.732 8.9282 2 2.866 2.866 2 6.3301 7.1962 6.001 6.0201 6.8671 6.6401 3.7113 3.7113 5.135 2.2623 2.2623 8.0622 8.0622 9.4651 4.269 5.7932 9.4651 1.4631 3.486 2.866 2.246 2.866 1.4631 7.5062 7.7331 6.8862 -0.25 -1.25 4.75 -0.25 1.75 -2.75 3.25 -1.25 0.25 0.25 1.25 1.25 -1.75 -1.75 1.75 -0.2847 1.7847 2.75 0.2292 -3.25 1.2708 1.25 -2.75 3.25 1.75 -4.25 2.75 -3.25 -1.75 -4.75 -4.25 4.25 4.75 -0.94 -2.2869 -2.06 -1.2131 -0.9046 2.4046 -3.06 -0.0829 1.5829 0.63 3.87 1.44 -4.56 2.94 3.06 -2.94 -1.75 -1.13 -1.75 -5.37 -4.56 4.2131 5.06 5.2869 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 5 5 8 9 9 10 11 15 15 16 17 18 19 20 20 22 23 24 25 26 28 30 9 10 11 12 13 11 16 12 17 18 22 19 21 24 21 23 26 25 28 27 27 30 31 31 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 782 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003060C1000000000000815000001E00100000000C28C1980432C083C00000A80325725400820000210200088801A874980860B2C095B1942008609600C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-acetamidophenyl)-2-oxo-quinoxalin-1-yl]-N-(o-tolyl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-acetamidophenyl)-2-oxo-1-quinoxalinyl]-N-(2-methylphenyl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-<I>N</I>-(2-methylphenyl)propanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-acetamidophenyl)-2-oxidanylidene-quinoxalin-1-yl]-N-(2-methylphenyl)propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(2-acetamidophenyl)-2-keto-quinoxalin-1-yl]-N-(o-tolyl)propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H24N4O3/c1-16-10-4-6-12-20(16)29-25(32)17(2)30-23-15-9-8-14-22(23)28-24(26(30)33)19-11-5-7-13-21(19)27-18(3)31/h4-15,17H,1-3H3,(H,27,31)(H,29,32) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GSKOTTWSPUTUJY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 440.18484064 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H24N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 440.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NC(=O)C(C)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NC(=O)C(C)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 90.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 440.18484064 33 1 0 1 0 0 0 0 1 -1