53377454 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 2 3 4 4 4 5 5 5 6 6 7 7 7 8 9 10 10 11 13 13 14 14 15 15 16 16 17 17 18 18 18 20 21 21 22 23 24 24 25 25 26 26 27 28 28 28 12 23 28 19 10 12 30 9 19 31 8 11 8 9 13 12 14 11 15 16 17 29 20 32 21 33 22 34 20 35 19 23 24 36 22 37 38 25 26 39 27 40 27 41 42 43 44 45 2 1 1 2 1 1 1 1 1 1 2 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 2 1 1 1 1 2 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 3.8 6.3981 4.666 5.5321 4.666 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 7.2641 2.9061 2.9061 8.1301 4.666 5.5321 8.1301 2 2 3.8 4.666 2.934 3.8 2.934 2.934 7.2641 4.666 4.9951 7.2641 2.9132 2.9132 8.6671 8.6671 1.4643 1.4643 5.203 2.397 3.8 2.397 2.624 2.397 3.244 -2.94 0.56 2.06 -2.94 0.56 -0.94 -0.94 -1.44 0.06 -2.44 -1.44 -2.44 -1.44 0.56 -2.9747 -0.9053 -0.94 2.06 1.56 0.06 -2.4608 -1.4192 1.56 3.06 2.06 3.56 3.06 0.06 -2.06 -3.56 0.25 1.18 -3.5946 -0.2854 -1.25 0.37 -2.7729 -1.1071 3.37 1.75 4.18 3.37 0.5969 -0.25 -0.4769 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 6 6 7 7 8 9 10 10 11 13 14 15 16 17 18 18 21 23 24 25 26 10 12 8 11 9 13 12 14 11 15 16 17 20 21 22 20 23 24 22 25 26 27 27 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 620 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A80325725400820800252200088801267CD80C66B6C4B59B94316866F411C8E9879CC8A08E00000000000A00200000000000140040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-<I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H17N3O3/c1-28-19-13-7-3-9-15(19)21(26)24-16-10-4-2-8-14(16)20-22(27)25-18-12-6-5-11-17(18)23-20/h2-13H,1H3,(H,24,26)(H,25,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SPFQCCSURUMZAZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 79.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.12699141 28 0 0 0 0 0 0 0 1 -1