53383343 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 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 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 8 10 10 11 11 12 12 12 13 13 13 14 14 14 15 16 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 25 26 27 28 28 29 29 30 9 15 22 30 8 11 15 7 9 32 16 17 12 13 14 9 10 31 18 19 16 20 33 34 35 36 37 38 39 40 41 17 21 22 24 42 25 43 23 44 26 45 28 26 46 27 47 27 48 49 50 29 51 30 52 53 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 8 4 9 10 31 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 2.934 6.3981 6.5026 4.666 3.8 4.666 2.934 4.666 3.8 5.5321 3.8 2.068 3.434 2.434 5.5321 3.8 5.5321 5.5321 6.3981 2.9061 2.9061 6.3981 2 6.3981 7.2641 2 7.2641 7.3116 7.9808 7.4808 4.1291 4.3369 1.758 1.531 2.378 2.897 3.744 3.9709 2.9709 2.124 1.897 4.9951 6.3981 2.9132 2.9132 1.4643 6.3981 7.801 1.4643 7.801 7.4405 8.5974 7.7329 -0.6682 0.3318 3.3263 0.3318 -2.1682 2.3318 -2.6682 -0.6682 -1.1682 -1.1682 0.8318 -3.1682 -3.5342 -1.8022 0.8318 1.8318 1.8318 -2.1682 -0.6682 0.2971 2.3665 2.3318 0.811 -2.6682 -1.1682 1.8526 -2.1682 1.9251 2.6682 3.5342 -0.3582 -2.4782 -2.6313 -3.4782 -3.7051 -3.8442 -4.0712 -3.2242 -1.4922 -1.2652 -2.1122 -2.4782 -0.0482 -0.3228 2.9864 0.4989 -3.2882 -0.8582 2.1647 -2.4782 1.3186 2.6034 4.1006 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 8 10 10 11 11 15 16 18 19 20 21 22 23 24 25 28 29 22 30 11 15 16 17 9 18 19 16 20 17 21 24 25 23 26 28 26 27 27 29 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 678 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 00000371E07B300000000000000000000000000000012000000030608000000000000081D000001E00100000000CACE1980632C483C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E98798C8808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-tert-butyl-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-tert-butyl-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>-<I>tert</I>-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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/C24H23N3O3/c1-24(2,3)26-22(28)21(16-10-5-4-6-11-16)27-18-13-8-7-12-17(18)25-20(23(27)29)19-14-9-15-30-19/h4-15,21H,1-3H3,(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HMVLVYFZIZMULB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 401.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 401.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC=CC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC=CC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4 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 2021.05.07 401.17394160 30 1 0 1 0 0 0 0 1 -1