5019834 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 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 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 7 7 8 9 10 10 11 13 13 14 14 15 15 16 16 17 17 18 19 20 20 21 21 22 23 23 24 24 25 25 26 27 28 28 28 12 19 25 28 10 12 29 8 11 9 19 32 8 9 13 12 14 11 15 16 17 30 18 31 21 33 22 34 18 35 36 20 23 24 22 37 38 26 39 27 40 26 27 41 42 43 44 45 2 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 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 6.3981 6.3981 2.068 4.666 4.666 5.5321 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 7.2641 2.9061 2.9061 8.1301 8.1301 5.5321 4.666 2 2 4.666 3.8 2.934 3.8 2.934 2.068 4.666 7.2641 7.2641 4.9951 2.9132 2.9132 8.6671 8.6671 1.4643 1.4643 5.203 3.8 3.8 2.397 2.688 2.068 1.448 -3.44 1.56 3.06 -3.44 -1.44 0.06 -1.44 -1.94 -0.44 -2.94 -1.94 -2.94 -1.94 0.06 -3.4747 -1.4053 -1.44 -0.44 1.06 1.56 -2.9608 -1.9192 2.56 1.06 2.56 3.06 1.56 4.06 -4.06 -2.56 0.68 -0.25 -4.0946 -0.7854 -1.75 -0.13 -3.2729 -1.6071 2.87 0.44 3.68 1.25 4.06 4.68 4.06 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 7 8 9 10 10 11 13 14 15 16 17 20 20 21 23 24 25 25 10 12 8 11 9 13 12 14 11 15 16 17 18 21 22 18 23 24 22 26 27 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 612 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A80325725400820800252200088801267CD80C66B2C4B59B94312864D411C8E9879CDC82CE20000000000200204000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-<I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-4-methoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H17N3O3/c1-28-15-12-10-14(11-13-15)21(26)24-17-7-3-2-6-16(17)20-22(27)25-19-9-5-4-8-18(19)23-20/h2-13H,1H3,(H,24,26)(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 REWKBTXQKJGFMK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.12699141 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H17N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.12699141 28 0 0 0 0 0 0 0 1 -1