53383136 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 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 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 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 18 18 19 20 21 21 22 22 23 23 24 25 25 26 26 27 27 28 29 29 30 31 31 32 32 33 33 34 34 35 10 16 7 11 16 8 10 37 17 19 20 24 9 10 36 12 13 14 15 18 17 21 38 39 40 41 42 43 44 45 46 20 22 19 23 24 47 25 27 26 48 29 49 28 50 51 31 32 28 52 30 53 54 30 55 56 33 57 34 58 35 59 35 60 61 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 7 3 9 10 36 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 3.634 7.0981 5.366 4.0001 5.366 7.9641 5.366 3 6.232 4.5 4.5 2 3.0001 3 6.232 6.232 4.5 7.0981 6.232 7.0981 3.606 5.322 3.606 7.9641 7.0981 2.7 7.1141 2.7 5.314 6.2161 7.9641 7.0981 8.8301 7.9641 8.8301 4.8291 4.31 2 1.38 2 2.3801 3.0001 3.6201 3.62 3 2.38 7.0981 3.6132 4.7887 3.6132 8.501 2.1642 7.6546 2.1642 4.7759 6.2185 7.9641 6.5611 9.3671 7.9641 9.3671 -0.4654 0.5346 0.5346 -1.8314 2.5346 -1.9654 -0.4654 -1.8314 -0.9654 -0.9654 1.0346 -1.8314 -2.8314 -0.8313 -1.9654 1.0346 2.0346 -0.4654 2.0346 -2.4654 0.5 -2.4722 2.5693 -0.9654 2.5346 1.0138 -3.5069 2.0554 -3.5138 -4.0346 2.0346 3.5346 2.5346 4.0346 3.5346 -0.1554 -2.3683 -1.2114 -1.8314 -2.4514 -2.8315 -3.4514 -2.8314 -0.8313 -0.2113 -0.8314 0.1546 -0.12 -2.156 3.1892 -0.6554 0.7017 -3.8106 2.3675 -3.8217 -4.6546 1.4146 3.8446 2.2246 4.6546 3.8446 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 3 3 5 5 6 6 7 9 9 11 11 15 15 16 17 18 20 21 22 23 25 25 26 27 29 31 32 33 34 11 16 17 19 20 24 10 15 18 17 21 20 22 19 23 24 27 26 29 28 31 32 28 30 30 33 34 35 35 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 812 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C60C1020000000000B1F400001E00100000000CA8C19E043EC0F3C81000A8033577540082802031022008D821B874980860F2C095B1942008609600C8C8071889C09E80000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-tert-butyl-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-tert-butyl-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>-<I>tert</I>-butyl-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-tert-butyl-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-tert-butyl-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 N-tert-butyl-2-(2-keto-3-phenyl-quinoxalin-1-yl)-2-(4-quinolyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C29H26N4O2/c1-29(2,3)32-27(34)26(21-17-18-30-22-14-8-7-13-20(21)22)33-24-16-10-9-15-23(24)31-25(28(33)35)19-11-5-4-6-12-19/h4-18,26H,1-3H3,(H,32,34) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZNRKELPJCCFVAC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 462.20557608 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C29H26N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 462.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)NC(=O)C(C1=CC=NC2=CC=CC=C12)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)NC(=O)C(C1=CC=NC2=CC=CC=C12)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 462.20557608 35 1 0 1 0 0 0 0 1 -1