53383144 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 62 63 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 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 2 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 14 15 16 16 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 26 26 27 27 28 29 29 30 30 31 31 32 32 33 33 34 34 35 36 36 37 37 39 39 39 12 13 38 39 8 10 12 14 15 13 27 44 17 22 9 13 40 11 16 14 18 17 19 15 20 21 22 41 24 23 42 26 43 25 45 29 30 46 25 47 28 48 49 28 50 31 32 51 33 52 34 53 36 54 37 55 35 56 35 57 58 38 59 38 60 61 62 63 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 8 4 9 13 40 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 56 57 58 59 60 61 62 63 9.5981 6.134 2.5 7.866 7.866 6.5001 10.4641 7.866 8.732 7 8.732 8.732 7 7 8.732 9.5981 9.5981 6.106 7.822 6.106 9.5981 10.4641 5.2 9.6141 5.2 7.814 5.5 8.7161 10.4641 9.5981 5 5 11.3301 10.4641 11.3301 4 4 3.5 2 7.3291 9.5981 6.1132 7.2887 6.81 6.1132 11.001 4.6642 10.1546 4.6642 7.2759 8.7185 10.4641 9.0611 5.31 5.31 11.8671 10.4641 11.8671 3.69 3.69 1.4631 1.69 2.5369 0.5346 -0.4654 -1.8314 0.5346 2.5346 -1.8314 -1.9654 -0.4654 -0.9654 1.0346 -1.9654 1.0346 -0.9654 2.0346 2.0346 -0.4654 -2.4654 0.5 -2.4722 2.5693 2.5346 -0.9654 1.0138 -3.5069 2.0554 -3.5138 -1.8314 -4.0346 2.0346 3.5346 -0.9653 -2.6975 2.5346 4.0346 3.5346 -0.9653 -2.6974 -1.8314 -2.6974 -0.1554 0.1546 -0.12 -2.156 -2.3683 3.1892 -0.6554 0.7017 -3.8106 2.3675 -3.8217 -4.6546 1.4146 3.8446 -0.4284 -3.2344 2.2246 4.6546 3.8446 -0.4284 -3.2344 -2.3874 -3.2344 -3.0074 8 8 8 8 8 8 3 8 8 8 8 8 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 5 5 7 7 8 9 9 10 10 11 11 12 14 16 17 18 19 20 21 21 23 24 26 27 27 29 30 31 32 33 34 36 37 10 12 14 15 17 22 13 11 16 14 18 17 19 15 20 22 24 23 26 25 29 30 25 28 28 31 32 33 34 36 37 35 35 38 38 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 894 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07FB0000000000000000000000000000000000000003C60C1820000000000B1F400001E00100000000C2CC19E063EC6F3C81400A8033577540082882031222008D821BE7C980C66F2C4B5BB94302864D611C8E807B8C9C09E80400000000200200080000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxyphenyl)-2-(2-oxo-3-phenyl-quinoxalin-1-yl)-2-(4-quinolyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxyphenyl)-2-(2-oxo-3-phenyl-1-quinoxalinyl)-2-(4-quinolinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-methoxyphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-quinolin-4-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxyphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-quinolin-4-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methoxyphenyl)-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)-2-quinolin-4-yl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-keto-3-phenyl-quinoxalin-1-yl)-N-(4-methoxyphenyl)-2-(4-quinolyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C32H24N4O3/c1-39-23-17-15-22(16-18-23)34-31(37)30(25-19-20-33-26-12-6-5-11-24(25)26)36-28-14-8-7-13-27(28)35-29(32(36)38)21-9-3-2-4-10-21/h2-20,30H,1H3,(H,34,37) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RUXVFHAYNMKLSG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 512.18484064 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C32H24N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 512.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC3=CC=CC=C23)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CC=C6 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC3=CC=CC=C23)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CC=C6 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 83.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 512.18484064 39 1 0 1 0 0 0 0 1 -1