53383152 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 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 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 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 12 12 12 12 13 13 14 15 15 15 16 17 18 18 18 19 19 20 21 21 22 22 23 24 24 25 25 26 26 27 28 28 28 29 30 30 31 31 32 20 11 14 23 32 8 10 14 11 13 40 16 17 9 11 33 20 21 16 19 13 15 34 35 36 37 17 18 38 39 22 23 28 41 42 24 43 25 26 44 27 45 30 27 46 29 47 29 48 49 50 51 52 53 31 54 32 55 56 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 8 5 9 11 33 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 7.366 5.634 9.0981 9.2026 7.366 6.0001 7.366 7.366 8.232 6.5 6.5 4.5 5 8.232 3.5 6.5 8.232 3 5.606 8.232 9.0981 5.606 9.0981 4.7 9.0981 9.9641 4.7 2 9.9641 10.0116 10.6807 10.1807 6.8291 4.3924 5.0826 5.1077 4.4174 3.6077 2.9174 6.31 2.8924 3.5826 5.6132 9.0981 5.6132 4.1642 9.0981 10.501 4.1642 2 1.38 2 10.501 10.1405 11.2973 10.4329 -2.5522 -0.5522 0.4478 3.4424 0.4478 -1.9182 2.4478 -0.5522 -1.0522 0.9478 -1.0522 -2.7843 -1.9182 0.9478 -2.7842 1.9478 1.9478 -3.6503 0.4132 -2.0522 -0.5522 2.4825 2.4478 0.927 -2.5522 -1.0522 1.9687 -3.6503 -2.0522 2.0411 2.7842 3.6503 -0.2422 -3.3948 -2.9963 -1.3076 -1.7062 -2.1737 -2.5722 -2.4551 -4.2609 -3.8623 -0.2068 0.0678 3.1025 0.615 -3.1722 -0.7422 2.2807 -3.0303 -3.6503 -4.2703 -2.3622 1.4346 2.7194 4.2167 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 8 9 9 10 10 14 16 19 20 21 22 23 24 25 26 30 31 23 32 10 14 16 17 11 20 21 16 19 17 22 24 25 26 27 30 27 29 29 31 32 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 700 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371E07B310000000000000000000000000000012000000030608000000000000081D000001F00100000000C2CE1980E32C483C00440A803AD72D404820800252200088881AE7CD80C66BECCB5BB963928E6F611C8E98798C8808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-pentyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-pentylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-<I>N</I>-pentylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-pentyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-amyl-2-(2-fluorophenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H24FN3O3/c1-2-3-8-15-27-24(30)23(17-10-4-5-11-18(17)26)29-20-13-7-6-12-19(20)28-22(25(29)31)21-14-9-16-32-21/h4-7,9-14,16,23H,2-3,8,15H2,1H3,(H,27,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LJYHCNLGGYSLIW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.18016980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H24FN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCNC(=O)C(C1=CC=CC=C1F)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=CC=C1F)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 2021.05.07 433.18016980 32 1 0 1 0 0 0 0 1 -1