51517435 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 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 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 7 7 8 10 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 25 25 26 26 28 28 28 9 14 27 28 6 9 11 7 8 8 12 9 10 13 14 29 30 16 17 18 31 19 32 15 22 23 20 33 21 34 19 35 36 24 37 24 38 25 39 26 40 41 27 42 27 43 44 45 46 2 2 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 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 6.3981 5.5321 9.8622 4.666 4.666 3.8 5.5321 3.8 5.5321 6.3981 4.666 2.9061 2.9061 6.3981 7.2641 5.5321 3.8 2 2 5.5321 3.8 7.2641 8.1301 4.666 8.1301 8.9962 8.9962 9.8622 6.6101 7.0087 2.9132 2.9132 6.069 3.2631 1.4643 1.4643 6.069 3.2631 6.7272 8.1301 4.666 8.1301 9.5331 10.4822 9.8622 9.2422 -1.5 2 3.5 -1.5 0.5 -1 -0 -0 -1 0.5 -2.5 -1.5347 0.5347 1.5 2 -3 -3 -1.0208 0.0208 -4 -4 3 1.5 -4.5 3.5 2 3 4.5 -0.0826 0.6077 -2.1546 1.1546 -2.69 -2.69 -1.3329 0.3329 -4.31 -4.31 3.31 0.88 -5.12 4.12 1.69 4.5 5.12 4.5 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 6 6 7 8 11 11 12 13 15 15 16 17 18 20 21 22 23 25 26 6 9 7 8 8 12 9 13 16 17 18 19 22 23 20 21 19 24 24 25 26 27 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 603 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00000000000C0C81980232C683000400A803A5725400820800252200088801367CC80C6672C4B59B94312864C411C8E9879DCCA0CE20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1-phenyl-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-phenyl-2-quinoxalinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-phenylquinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-phenylquinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1-phenyl-quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[2-keto-2-(4-methoxyphenyl)ethyl]-1-phenyl-quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18N2O3/c1-28-18-13-11-16(12-14-18)22(26)15-20-23(27)25(17-7-3-2-4-8-17)21-10-6-5-9-19(21)24-20/h2-14H,15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KRIWUSKDQTVSEU-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 2021.05.07 370.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N(C2=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N(C2=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 59 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.13174244 28 0 0 0 0 0 0 0 1 -1