53383338 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 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 1 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 11 11 12 12 13 13 13 14 14 14 15 15 15 16 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 26 28 29 29 30 30 31 32 32 32 10 16 25 31 27 32 8 12 16 9 10 34 17 18 10 11 33 13 14 15 19 20 17 21 35 36 37 38 39 40 41 42 43 18 22 25 23 44 24 45 26 46 28 47 27 48 27 49 29 28 50 51 30 52 31 53 54 55 56 57 2 2 1 1 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 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 8 5 10 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 57 2.934 6.3981 6.5026 8.1301 4.666 3.8 4.666 4.666 2.934 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 7.2641 6.3981 2 7.2641 2 7.3116 7.9808 7.4808 8.1301 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 6.3981 7.801 1.4643 1.4643 7.4405 8.5974 7.7329 7.5101 8.1301 8.7501 -0.6012 0.3988 3.3933 -2.6012 0.3988 -2.1012 2.3988 -0.6012 -2.6012 -1.1012 -1.1012 0.8988 -3.1012 -3.4672 -1.7352 0.8988 1.8988 1.8988 -2.1012 -0.6012 0.3641 2.4334 -2.6012 -1.1012 2.3988 0.878 -2.1012 1.9196 1.992 2.7352 3.6012 -3.6012 -0.2912 -2.4112 -2.5643 -3.4112 -3.6382 -3.7772 -4.0042 -3.1572 -1.4252 -1.1983 -2.0452 -2.4112 0.0188 -0.2558 3.0534 -3.2212 -0.7912 0.5659 2.2317 1.3856 2.6704 4.1676 -3.6012 -4.2212 -3.6012 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 5 5 7 7 8 11 11 12 12 16 17 19 20 21 22 23 24 25 26 29 30 25 31 12 16 17 18 10 19 20 17 21 18 22 23 24 26 28 27 27 29 28 30 31 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 723 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380000000000000000000000000000012000000030608000000000000081D000001E00100000000CACE1980632C683C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E98798D8838E20000000000000204000000000000040000000000000 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-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide 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-(4-methoxyphenyl)acetamide 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-(4-methoxyphenyl)acetamide 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-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H25N3O4/c1-25(2,3)27-23(29)22(16-11-13-17(31-4)14-12-16)28-19-9-6-5-8-18(19)26-21(24(28)30)20-10-7-15-32-20/h5-15,22H,1-4H3,(H,27,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HOIGTZQLSILTKW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 431.18450629 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H25N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 431.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)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=C(C=C1)OC)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 84.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 431.18450629 32 1 0 1 0 0 0 0 1 -1