7187728 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 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 23 24 24 25 25 26 27 28 28 28 29 29 29 12 25 28 19 10 12 31 9 19 32 8 11 8 9 13 12 14 11 15 16 17 30 20 33 21 34 22 35 20 36 19 23 24 37 22 38 39 26 40 27 41 26 27 42 43 29 44 45 46 47 48 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 2 1 1 2 1 1 1 1 2 1 2 1 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 7.1962 2.866 7.1962 5.4641 6.3301 5.4641 7.1962 6.3301 7.1962 4.5981 4.5981 6.3301 8.0622 8.0622 3.7041 3.7041 8.9282 5.4641 6.3301 8.9282 2.7981 2.7981 5.4641 4.5981 3.732 4.5981 3.732 2.866 2 8.0622 5.4641 5.7932 8.0622 3.7113 3.7113 9.4651 9.4651 2.2623 2.2623 6.001 4.5981 4.5981 3.1951 3.4766 3.0781 2.31 1.4631 1.69 -3.69 2.81 1.31 -3.69 -0.19 -1.69 -1.69 -2.19 -0.69 -3.19 -2.19 -3.19 -2.19 -0.19 -3.7247 -1.6553 -1.69 1.31 0.81 -0.69 -3.2108 -2.1692 2.31 0.81 2.31 2.81 1.31 3.81 4.31 -2.81 -4.31 -0.5 0.43 -4.3446 -1.0354 -2 -0.38 -3.5229 -1.8571 2.62 0.19 3.43 1 3.7023 4.3926 4.8469 4.62 3.7731 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 25 10 12 8 11 9 13 12 14 11 15 16 17 20 21 22 20 23 24 22 26 27 26 27 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 627 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 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CA1980232C682C00400A80325725400820800252200088801267CD80C66B2C4B59B963928E4D411C8E9879CDC82CE20000000000200204000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-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 4-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-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 4-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-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/c1-2-29-16-13-11-15(12-14-16)22(27)25-18-8-4-3-7-17(18)21-23(28)26-20-10-6-5-9-19(20)24-21/h3-14H,2H2,1H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LQNARSUCARODKM-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=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=C(C=C1)C(=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