53383146 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 54 55 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 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 3 4 4 4 5 5 5 6 6 7 7 7 7 8 8 8 9 9 10 10 12 12 13 14 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 26 27 27 29 29 30 30 31 32 32 32 11 13 28 32 10 12 13 11 17 39 14 15 8 9 10 33 9 34 35 36 37 11 38 14 16 15 18 19 20 40 22 23 21 41 24 25 21 42 43 26 44 27 45 29 46 30 47 28 48 28 49 31 50 31 51 52 53 54 55 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 10 4 7 11 38 3 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 54 55 4.5981 8.0622 2 6.3301 5.4641 6.3301 7.1962 7.6962 8.1962 6.3301 5.4641 5.4641 7.1962 5.4641 7.1962 4.5702 4.5981 4.5702 8.0622 3.6641 3.6641 3.732 4.5981 8.0622 8.9282 2.866 3.732 2.866 8.9282 9.7942 9.7942 2 6.7578 7.2212 8.1711 8.7788 8.3038 5.7932 6.001 4.5773 4.5773 3.1284 3.1284 3.732 5.135 7.5252 8.9282 2.3291 3.732 8.9282 10.3312 10.3312 1.38 2 2.62 -0 1 -3.5 1 -1.5 3 -0.5 -1.366 -0.5 0 -0.5 1.5 1.5 2.5 2.5 0.9653 -2 3.0347 3 1.4792 2.5208 -1.5 -3 4 2.5 -2 -3.5 -3 4.5 3 4 -4.5 -0.9384 -1.7646 -1.7646 -0.7121 0.1106 0.31 -1.81 0.3454 3.6546 1.1671 2.8329 -0.88 -3.31 4.31 1.88 -1.69 -4.12 5.12 2.69 4.31 -4.5 -5.12 -4.5 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 10 12 12 13 14 16 17 17 18 19 19 20 22 23 24 25 26 27 29 30 12 13 14 15 11 14 16 15 18 20 22 23 21 24 25 21 26 27 29 30 28 28 31 31 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 720 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000018000000000000003060C1000000000000815000001E00100000000D2CC1980632C683C00400A80325725400820800212200088801AE7C980C66B2C4B5BB94302864D611C8E807B8C8808E00400000000000200080000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(4-methoxyphenyl)-2-(2-oxo-3-phenyl-quinoxalin-1-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(4-methoxyphenyl)-2-(2-oxo-3-phenyl-1-quinoxalinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-<I>N</I>-(4-methoxyphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(4-methoxyphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-N-(4-methoxyphenyl)-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-(2-keto-3-phenyl-quinoxalin-1-yl)-N-(4-methoxyphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H23N3O3/c1-32-20-15-13-19(14-16-20)27-25(30)24(18-11-12-18)29-22-10-6-5-9-21(22)28-23(26(29)31)17-7-3-2-4-8-17/h2-10,13-16,18,24H,11-12H2,1H3,(H,27,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NIUCVBJREMBXKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5 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 2021.05.07 425.17394160 32 1 0 1 0 0 0 0 1 -1