71844567 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 48 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 7 8 9 10 10 11 13 13 14 14 15 15 15 17 17 18 18 19 19 20 21 22 22 23 24 24 25 25 26 26 27 28 28 28 29 29 29 21 28 12 16 10 12 31 9 16 32 8 11 8 9 13 12 14 11 17 19 18 30 20 33 16 21 24 22 34 20 35 23 36 37 25 23 38 39 26 40 27 41 27 42 43 29 44 45 46 47 48 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 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 47 48 3.8 6.3981 6.3981 4.666 5.5321 4.666 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 7.2641 4.666 5.5321 2.9061 8.1301 2.9061 8.1301 3.8 2 2 4.666 2.934 3.8 2.934 2.934 2.068 7.2641 4.666 4.9951 7.2641 2.9132 8.6671 2.9132 8.6671 1.4643 1.4643 5.203 2.397 3.8 2.397 2.5354 3.3325 2.378 1.531 1.758 0.56 -2.94 2.06 -2.94 0.56 -0.94 -0.94 -1.44 0.06 -2.44 -1.44 -2.44 -1.44 0.56 2.06 1.56 -2.9747 -0.94 -0.9053 0.06 1.56 -2.4608 -1.4192 3.06 2.06 3.56 3.06 0.06 0.56 -2.06 -3.56 0.25 1.18 -3.5946 -1.25 -0.2854 0.37 -2.7729 -1.1071 3.37 1.75 4.18 3.37 -0.4149 -0.4149 1.0969 0.87 0.0231 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 6 6 7 7 8 9 10 10 11 13 14 15 15 17 18 19 21 22 24 25 26 10 12 8 11 9 13 12 14 11 17 19 18 20 21 24 22 20 23 25 23 26 27 27 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 635 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CA1980232C682C00400A80325725400820800252200088801267CD80C66B6C4B59B963968E6F411C8E9879CC8A08E00000000000A00200000000000140040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-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-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-<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-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H19N3O3/c1-2-29-20-14-8-4-10-16(20)22(27)25-17-11-5-3-9-15(17)21-23(28)26-19-13-7-6-12-18(19)24-21/h3-14H,2H2,1H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BCULLTICYWSIOC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=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 CCOC1=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 2021.05.07 385.14264148 29 0 0 0 0 0 0 0 1 -1