53383153 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 58 59 9 9 9 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 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 5 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 12 14 14 14 15 15 15 16 17 17 17 18 19 20 20 21 21 22 22 22 23 23 24 24 25 25 26 26 27 28 29 29 30 31 31 31 33 33 34 34 35 32 32 32 13 16 28 35 10 12 16 13 14 41 18 19 11 13 36 20 21 18 23 15 37 38 17 39 40 19 22 42 43 26 28 24 44 25 45 31 46 47 29 48 27 49 27 50 30 51 32 33 30 52 53 54 55 56 34 57 35 58 59 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 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 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 10 7 11 13 36 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 58 59 8.4282 9.7942 9.4282 3.732 7.1962 7.3007 5.4641 4.5981 5.4641 5.4641 6.3301 4.5981 4.5981 3.732 3.732 6.3301 2.866 4.5981 6.3301 7.1962 6.3301 2.866 3.7041 8.0622 7.1962 3.7041 8.0622 7.1962 2.7981 2.7981 2 8.9282 8.1097 8.7788 8.2788 4.9272 3.52 3.1215 3.9441 4.3426 5.135 2.654 2.2554 7.1962 5.7932 3.0781 3.4766 3.7113 8.5991 7.1962 3.7113 2.2623 2.2623 1.69 1.4631 2.31 8.2386 9.3954 8.531 -2.4672 -2.1012 -0.7352 0.3988 1.3988 4.3933 1.3988 -1.1012 3.3988 0.3988 -0.1012 1.8988 -0.1012 -1.6012 -2.6012 1.8988 -3.1012 2.8988 2.8988 0.3988 -1.1012 -4.1012 1.3641 -0.1012 -1.6012 3.4334 -1.1012 3.3988 1.878 2.9196 -4.6012 -1.6012 2.992 3.7352 4.6012 0.7088 -1.0186 -1.7089 -3.1838 -2.4936 -1.4112 -2.5186 -3.2089 1.0188 -1.4112 -4.6838 -3.9936 0.7442 0.2088 -2.2212 4.0534 1.5659 3.2317 -4.0643 -4.9112 -5.1382 2.3856 3.6704 5.1676 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 9 10 11 11 12 12 16 18 20 21 23 24 25 26 28 29 33 34 28 35 12 16 18 19 13 20 21 18 23 19 26 24 25 29 27 27 30 33 30 34 35 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 780 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B318000000000000000000000000000012000000030608000000000000081D000001F00100000000C2CE1981632C483C00440A803AD72D404820800252200088881AE7CD80C66BECCB5BB963928E6F611C8E98798C8C08E40000000000000208000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-<I>N</I>-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-pentyl-2-[4-(trifluoromethyl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-amyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H24F3N3O3/c1-2-3-6-15-30-24(33)23(17-11-13-18(14-12-17)26(27,28)29)32-20-9-5-4-8-19(20)31-22(25(32)34)21-10-7-16-35-21/h4-5,7-14,16,23H,2-3,6,15H2,1H3,(H,30,33) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CZITZLPKDOIEAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 483.17697612 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H24F3N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 483.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCNC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCNC(=O)C(C1=CC=C(C=C1)C(F)(F)F)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 2021.05.07 483.17697612 35 1 0 1 0 0 0 0 1 -1