6212449 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 21 22 22 23 23 24 24 26 26 27 27 28 29 29 29 10 12 25 29 8 10 31 7 9 7 11 12 10 9 15 16 13 30 14 17 18 21 22 19 32 20 33 23 34 24 35 20 36 37 26 38 27 39 25 40 25 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 1 1 2 1 2 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 2.934 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 4.666 5.5321 2 2 8.1301 8.9962 3.8 4.666 3.8 8.9962 9.8622 9.8622 2.934 6.935 4.666 2.9132 2.9132 4.666 6.069 1.4643 1.4643 7.5932 8.9962 3.2631 4.666 8.9962 10.3991 10.3991 3.554 2.934 2.314 -2.69 -2.19 2.31 -2.69 -0.69 -0.69 -1.19 -2.19 -1.19 -2.19 0.31 -1.19 0.81 -0.69 -2.7247 -0.6553 0.31 1.81 -2.2108 -1.1692 0.31 -1.19 0.81 2.31 1.81 0.81 -0.69 0.31 3.31 0.62 -3.31 -3.3446 -0.0354 -0.31 2.12 -2.5229 -0.8571 0.62 -1.81 0.5 2.93 1.43 -1 0.62 3.31 3.93 3.31 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 21 22 19 20 23 24 20 26 27 25 25 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 670 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A803A5725400820800252200088801267CD80C6632C4B59B94312864D411C8E9879DC8808E20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-1-benzoyl-2-(4-methoxyphenyl)vinyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(<I>E</I>)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(E)-1-benzoyl-2-(4-methoxyphenyl)vinyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H18N2O3/c1-29-18-13-11-16(12-14-18)15-19(23(27)17-7-3-2-4-8-17)22-24(28)26-21-10-6-5-9-20(21)25-22/h2-15H,1H3,(H,26,28)/b19-15+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DCABMAYQMCFQJB-XDJHFCHBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.13174244 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H18N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=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 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.13174244 29 0 0 0 1 1 0 0 1 -1