53383323 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 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 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 7 8 8 8 9 9 10 10 12 12 13 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 24 24 25 25 26 26 27 27 27 28 28 28 29 30 30 31 11 13 20 31 10 12 13 11 17 38 14 15 8 9 10 32 9 33 34 35 36 11 37 14 16 15 18 20 19 39 21 22 23 40 23 41 26 24 27 25 28 42 29 43 29 44 30 45 46 47 48 49 50 51 52 31 53 54 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 10 4 7 11 37 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 3.732 7.1962 7.3007 5.4641 4.5981 5.4641 6.3301 6.8301 7.3301 5.4641 4.5981 4.5981 6.3301 4.5981 6.3301 3.7041 3.732 3.7041 2.7981 7.1962 3.732 2.866 2.7981 2.866 2 8.1097 4.5981 2.866 2 8.7788 8.2788 6.4906 6.3552 7.3051 7.9127 7.4378 4.9272 5.135 3.7113 3.7113 2.2623 2.2623 2.866 1.4631 8.2386 4.2881 5.135 4.9081 3.486 2.866 2.246 1.4631 9.3954 8.531 -0.3512 0.6488 3.6433 0.6488 -1.8512 2.6488 -0.8512 -1.7172 -0.8512 -0.3512 -0.8512 1.1488 1.1488 2.1488 2.1488 0.6141 -2.3512 2.6834 1.128 2.6488 -3.3512 -1.8512 2.1696 -3.8512 -2.3512 2.242 -3.8512 -0.8512 -3.3512 2.9852 3.8512 -0.2523 -2.1158 -2.1158 -1.0633 -0.2406 -0.0412 -2.1612 -0.0058 3.3034 0.8159 2.4817 -4.4712 -2.0412 1.6356 -4.3882 -4.1612 -3.3143 -0.8512 -0.2312 -0.8512 -3.6612 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 3 3 4 4 6 6 10 12 12 13 14 16 17 17 18 19 20 21 22 24 25 26 30 20 31 12 13 14 15 11 14 16 15 18 19 21 22 23 23 26 24 25 29 29 30 31 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 724 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 00000371E07B300000000000000000000000180000012000000030608000000000000081D000001E00100000000D2CE1980632C483C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E98798C8400E00000200000200200000040000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-<I>N</I>-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(2,6-dimethylphenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H23N3O3/c1-15-7-5-8-16(2)21(15)27-24(29)23(17-12-13-17)28-19-10-4-3-9-18(19)26-22(25(28)30)20-11-6-14-31-20/h3-11,14,17,23H,12-13H2,1-2H3,(H,27,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DFXPYRSTVGLWNH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C)NC(=O)C(C2CC2)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(C2CC2)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 2021.05.07 413.17394160 31 1 0 1 0 0 0 0 1 -1