8256782 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 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 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 6 6 6 7 8 8 9 11 11 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 22 23 23 24 24 25 26 26 27 27 28 29 29 29 10 12 21 29 8 10 31 7 9 7 11 12 10 9 15 16 13 30 14 17 18 22 23 19 32 20 33 21 34 24 35 20 36 37 25 26 38 27 39 25 40 41 28 42 28 43 44 45 46 47 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 6 7 12 11 13 30 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 6.3981 7.2641 4.666 4.666 4.666 6.3981 5.5321 3.8 3.8 5.5321 6.3981 7.2641 5.5321 8.1301 2.9061 2.9061 5.5321 4.666 2 2 4.666 8.9962 8.1301 3.8 3.8 9.8622 8.9962 9.8622 3.8 6.935 4.666 2.9132 2.9132 6.069 4.666 1.4643 1.4643 8.9962 7.5932 3.2631 3.2631 10.3991 8.9962 10.3991 4.11 3.2631 3.49 -2.94 -2.44 3.06 -2.94 -0.94 -0.94 -1.44 -2.44 -1.44 -2.44 0.06 -1.44 0.56 -0.94 -2.9747 -0.9053 1.56 0.06 -2.4608 -1.4192 2.06 -1.44 0.06 0.56 1.56 -0.94 0.56 0.06 3.56 0.37 -3.56 -3.5946 -0.2854 1.87 -0.56 -2.7729 -1.1071 -2.06 0.37 0.25 1.87 -1.25 1.18 0.37 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 13 13 14 14 15 16 17 18 19 21 22 23 24 26 27 8 10 7 9 10 9 15 16 17 18 22 23 19 20 21 24 20 25 26 27 25 28 28 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 678 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A803A5725400820800252200088801267CD80C6632C4B59B94312864D411C8E9879DC8908E00000100000000200000020000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-benzoyl-2-(3-methoxyphenyl)vinyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)vinyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H18N2O3/c1-29-18-11-7-8-16(14-18)15-19(23(27)17-9-3-2-4-10-17)22-24(28)26-21-13-6-5-12-20(21)25-22/h2-15H,1H3,(H,26,28)/b19-15+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KKJAHQJWHUFLML-XDJHFCHBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC(=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 COC1=CC=CC(=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 2021.05.07 382.13174244 29 0 0 0 1 1 0 0 1 -1