8256806 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 8 8 8 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 2 3 4 4 4 5 5 6 6 6 7 8 8 9 10 10 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 23 24 24 25 25 26 26 27 27 28 29 29 29 30 30 30 21 29 11 13 8 11 32 7 9 7 10 13 11 9 15 16 12 31 17 18 14 24 25 19 33 20 34 22 35 23 36 20 37 38 22 23 39 40 26 41 27 42 28 43 28 44 45 30 46 47 48 49 50 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 6 7 13 10 12 31 1 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 2.934 6.3981 7.2641 4.666 4.666 6.3981 5.5321 3.8 3.8 6.3981 5.5321 5.5321 7.2641 8.1301 2.9061 2.9061 4.666 5.5321 2 2 3.8 3.8 4.666 8.9962 8.1301 9.8622 8.9962 9.8622 2.934 2.068 6.935 4.666 2.9132 2.9132 4.666 6.069 1.4643 1.4643 3.2631 4.666 8.9962 7.5932 10.3991 8.9962 10.3991 3.5446 3.146 2.378 1.531 1.758 2.06 -2.94 -2.44 -2.94 -0.94 -0.94 -1.44 -2.44 -1.44 0.06 -2.44 0.56 -1.44 -0.94 -2.9747 -0.9053 0.06 1.56 -2.4608 -1.4192 1.56 0.56 2.06 -1.44 0.06 -0.94 0.56 0.06 3.06 3.56 0.37 -3.56 -3.5946 -0.2854 -0.56 1.87 -2.7729 -1.1071 0.25 2.68 -2.06 0.37 -1.25 1.18 0.37 2.9523 3.6426 4.0969 3.87 3.0231 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 8 8 9 12 12 14 14 15 16 17 18 19 21 21 24 25 26 27 8 11 7 9 11 9 15 16 17 18 24 25 19 20 22 23 20 22 23 26 27 28 28 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 685 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CA1980232C682C00400A803A5725400820800252200088801267CD80C6632C4B59B963928E4D411C8E9879DC8808E20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-benzoyl-2-(4-ethoxyphenyl)vinyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(<I>E</I>)-1-(4-ethoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(4-ethoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(4-ethoxyphenyl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-benzoyl-2-p-phenetyl-vinyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C25H20N2O3/c1-2-30-19-14-12-17(13-15-19)16-20(24(28)18-8-4-3-5-9-18)23-25(29)27-22-11-7-6-10-21(22)26-23/h3-16H,2H2,1H3,(H,27,29)/b20-16+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BMPXAAJKRXWTTI-CAPFRKAQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 396.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C25H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 396.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3NC2=O)/C(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 396.14739250 30 0 0 0 1 1 0 0 1 -1