46367587 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 56 57 58 59 60 61 8 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 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 1 1 1 2 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 12 12 13 13 13 14 15 16 16 17 17 17 17 18 18 19 19 22 22 23 23 24 25 25 26 27 27 27 28 28 28 29 29 30 30 31 31 32 33 33 34 35 35 35 11 20 21 32 35 9 11 13 10 14 15 21 42 20 29 54 14 16 11 12 15 19 20 36 37 18 22 23 38 21 27 28 39 24 40 25 41 26 43 24 44 45 26 46 47 48 49 50 51 52 53 30 31 32 55 33 56 34 34 57 58 59 60 61 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 49 50 51 52 53 54 55 56 57 58 59 60 61 8.9282 5.4641 8.9282 2.866 7.1962 7.1962 8.0622 6.3301 6.3301 8.0622 8.0622 8.9282 7.1962 6.3301 8.9282 5.4362 7.1962 5.4362 9.7942 6.3301 8.0622 9.7942 4.5301 4.5301 10.6603 10.6603 7.1962 6.3301 5.4641 4.5981 5.4641 3.732 4.5981 3.732 2 7.4082 7.8067 5.4434 6.6592 5.4434 9.7942 7.5252 9.7942 3.9944 3.9944 11.1972 11.1972 7.8162 7.1962 6.5762 6.0201 5.7932 6.6401 6.8671 4.5981 6.001 4.5981 3.1951 1.69 1.4631 2.31 -0.75 -1.75 4.25 -3.25 -0.75 1.25 2.75 -3.25 -0.25 0.75 -0.25 1.25 -1.75 0.75 2.25 -0.7847 4.25 1.2847 0.75 -2.25 3.75 2.75 -0.2708 0.7708 1.25 2.25 5.25 3.75 -3.75 -3.25 -4.75 -3.75 -5.25 -4.75 -3.75 -2.3326 -1.6423 -1.4046 4.56 1.9046 0.13 2.44 3.37 -0.5829 1.0829 0.94 2.56 5.25 5.87 5.25 4.2869 3.44 3.2131 -3.56 -2.63 -5.06 -5.87 -5.06 -3.2131 -4.06 -4.2869 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 9 9 10 12 12 14 15 16 18 19 22 23 25 29 29 30 31 32 33 9 11 10 14 14 16 11 15 19 18 22 23 24 25 26 24 26 30 31 32 33 34 34 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 813 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 2 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 00000371E07BB8000000000000000000000000000000000000003060C1000000000000815000001E00100000000D0CC1980632C683C00400A80325725400820800212200088801AE7C980C66B2C4B5BB94302866D619C8E8079CD8838E00000002000200200000000400040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[4-[2-(3-methoxyanilino)-2-oxo-ethyl]-3-oxo-quinoxalin-2-yl]phenyl]-2-methyl-propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxo-2-quinoxalinyl]phenyl]-2-methylpropanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-quinoxalin-2-yl]phenyl]-2-methyl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[3-keto-4-[2-keto-2-(m-anisidino)ethyl]quinoxalin-2-yl]phenyl]-2-methyl-propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C27H26N4O4/c1-17(2)26(33)30-21-12-5-4-11-20(21)25-27(34)31(23-14-7-6-13-22(23)29-25)16-24(32)28-18-9-8-10-19(15-18)35-3/h4-15,17H,16H2,1-3H3,(H,28,32)(H,30,33) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ODXVIEUXOKOPOW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 470.19540532 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C27H26N4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 470.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 100 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 470.19540532 35 0 0 0 0 0 0 0 1 -1