53058257 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 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 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 8 9 9 9 10 11 11 12 12 12 13 14 15 15 16 18 18 18 19 20 20 21 21 21 22 22 23 23 24 25 25 25 26 26 26 19 25 14 17 7 14 18 12 17 32 8 16 8 11 10 10 13 17 27 13 28 15 29 30 31 16 19 20 21 33 34 35 22 23 36 37 38 39 24 40 24 41 42 26 43 44 45 46 47 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 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 4.5961 11.5981 6.3397 9.866 5.4679 9.866 9 9 7.2 8.106 8.106 4.6038 7.2 10.732 3.7359 10.732 6.3359 9.866 3.732 2.8718 11.5981 2.8641 2.0038 2 4.5923 3.7243 8.1132 8.1132 5.0042 4.2071 6.6642 5.4655 9.246 9.866 10.486 2.8742 11.9081 12.135 11.2881 2.8617 1.4681 1.4619 4.8021 5.2033 3.4164 3.1862 4.0323 -0.7483 -0.7792 2.245 -0.7792 0.7483 1.2208 -0.2792 0.7208 0.7416 1.2555 -0.8138 1.2517 -0.3 -0.2792 0.755 0.7208 1.245 -1.7792 -0.245 1.2583 1.2208 -0.7416 0.7617 -0.2383 -1.7483 -2.245 1.8754 -1.4338 1.7251 1.7281 -0.612 0.1283 -1.7792 -2.3992 -1.7792 1.8783 0.6839 1.5308 1.7578 -1.3616 1.0738 -0.5462 -2.3317 -1.643 -1.7068 -2.5529 -2.7831 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 9 11 14 15 15 19 20 22 23 7 14 8 16 8 11 10 10 13 13 16 19 20 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 563 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0CE1980632C683C00400A803257254008208002522000888811E7CC80C6632C4B59B963928E6C611C8E9879CC9209E08000040000800201000008000100040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2-oxo-quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2-oxo-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-2-oxidanylidene-quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-ethoxybenzyl)-2-keto-1,3-dimethyl-quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21N3O3/c1-4-26-18-8-6-5-7-15(18)12-21-19(24)14-9-10-17-16(11-14)22-13(2)20(25)23(17)3/h5-11H,4,12H2,1-3H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YCDWHYTVOSBCDB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.15829154 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.15829154 26 0 0 0 0 0 0 0 1 -1