4134170 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 49 50 51 52 53 8 8 8 7 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 6 1 1 1 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 8 8 9 10 11 11 11 12 12 13 14 14 14 15 15 17 17 18 18 20 20 21 22 23 23 24 24 25 25 26 26 27 28 28 29 29 30 31 31 31 22 31 16 19 9 11 34 12 16 39 10 13 14 19 40 9 10 15 17 16 19 32 33 13 23 24 18 35 36 20 37 21 38 22 25 21 41 42 28 26 43 27 44 29 45 27 46 47 30 48 30 49 50 51 52 53 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 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 46 47 48 49 50 51 52 53 2.866 7.1962 4.5981 6.3301 5.4641 5.4641 5.4641 7.1962 7.1962 6.3301 6.3301 4.5981 4.5981 4.5981 8.0622 6.3301 8.0622 4.5981 5.4641 8.9282 8.9282 3.732 3.7041 3.7041 5.4641 2.7981 2.7981 3.732 5.4641 4.5981 2 6.9407 6.5422 5.7932 3.9875 4.386 8.0622 8.0622 5.4641 6.001 9.4651 9.4651 3.7113 3.7113 6.001 2.2623 2.2623 3.1951 6.001 4.5981 2.31 1.4631 1.69 3.06 -4.44 0.06 -0.94 -4.44 -2.44 1.56 -2.44 -1.44 -2.94 0.06 -3.94 -2.94 2.06 -2.94 -3.94 -0.94 3.06 0.56 -2.44 -1.44 3.56 -4.4747 -2.4053 3.56 -3.9608 -2.9192 4.56 4.56 5.06 3.56 -0.0477 0.6426 -1.25 2.1677 1.4774 -3.56 -0.32 -5.06 1.87 -2.75 -1.13 -5.0946 -1.7854 3.25 -4.2729 -2.6071 4.87 4.87 5.68 4.0969 3.87 3.0231 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 9 10 12 12 13 15 17 18 18 20 22 23 24 25 26 28 29 12 16 10 13 9 15 17 16 13 23 24 20 21 22 25 21 28 26 27 29 27 30 30 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 667 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CC1980632C682C00400A80325725400820800212200088881AE7C980C66B2C4B5BB94302866D611C8E8079CC8A08E00000000000A00200000000000140040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)anilino]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-2-[[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(3-keto-4H-quinoxalin-2-yl)anilino]-N-o-anisyl-acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H22N4O3/c1-31-21-13-7-2-8-16(21)14-26-22(29)15-25-18-10-4-3-9-17(18)23-24(30)28-20-12-6-5-11-19(20)27-23/h2-13,25H,14-15H2,1H3,(H,26,29)(H,28,30) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SMGDKDGQMRWQQE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1CNC(=O)CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1CNC(=O)CNC2=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 91.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.16919058 31 0 0 0 0 0 0 0 1 -1