53383322 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 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 4 5 5 5 6 6 7 7 7 8 8 9 9 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 24 24 25 25 26 27 27 28 28 29 29 29 30 30 30 31 32 32 33 33 34 10 11 21 34 7 8 11 10 15 36 12 13 9 10 35 12 14 16 17 13 18 21 22 37 19 20 24 38 25 39 23 40 27 29 28 30 32 23 41 42 26 43 26 44 45 31 46 31 47 48 49 50 51 52 53 54 33 55 34 56 57 2 2 1 1 1 1 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 2 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 7 4 9 10 35 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 3.732 7.1962 7.3007 5.4641 4.5981 5.4641 5.4641 4.5981 6.3301 4.5981 6.3301 4.5981 6.3301 3.7041 3.732 7.1962 6.3301 3.7041 3.732 2.866 7.1962 2.7981 2.7981 8.0622 7.1962 8.0622 2.866 2 4.5981 2.866 2 8.1097 8.7788 8.2788 4.9272 5.135 3.7113 7.1962 5.7932 3.7113 2.2623 2.2623 8.5991 7.1962 8.5991 2.866 1.4631 4.2881 5.135 4.9081 3.486 2.866 2.246 1.4631 8.2386 9.3954 8.531 -0.3512 0.6488 3.6433 0.6488 -1.8512 2.6488 -0.3512 1.1488 -0.8512 -0.8512 1.1488 2.1488 2.1488 0.6141 -2.3512 -0.3512 -1.8512 2.6834 -3.3512 -1.8512 2.6488 1.128 2.1696 -0.8512 -2.3512 -1.8512 -3.8512 -2.3512 -3.8512 -0.8512 -3.3512 2.242 2.9852 3.8512 -0.0412 -2.1612 -0.0058 0.2688 -2.1612 3.3034 0.8159 2.4817 -0.5412 -2.9712 -2.1612 -4.4712 -2.0412 -4.3882 -4.1612 -3.3143 -0.8512 -0.2312 -0.8512 -3.6612 1.6356 2.9204 4.4176 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 3 3 4 4 6 6 7 8 8 9 9 11 12 14 15 15 16 17 18 19 20 21 22 24 25 27 28 32 33 21 34 8 11 12 13 10 12 14 16 17 13 18 22 19 20 24 25 23 27 28 32 23 26 26 31 31 33 34 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 767 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 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 00000371E07B30000000000000000000000000000001200000003060C100000000000081D400001E00100000000C2CE1980632C483C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E98798C8C08E00000200000200200000040000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,6-dimethylphenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-phenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,6-dimethylphenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-phenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-phenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,6-dimethylphenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C28H23N3O3/c1-18-10-8-11-19(2)24(18)30-27(32)26(20-12-4-3-5-13-20)31-22-15-7-6-14-21(22)29-25(28(31)33)23-16-9-17-34-23/h3-17,26H,1-2H3,(H,30,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WQALCQQGKRVCJP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 449.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C28H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 449.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 449.17394160 34 1 0 1 0 0 0 0 1 -1