53557542 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 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 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 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 14 14 15 15 16 17 17 18 19 19 21 21 22 22 23 23 24 24 25 25 26 27 28 28 28 11 12 13 20 8 9 10 13 14 39 17 20 42 16 18 11 29 30 12 31 32 13 33 34 35 36 37 38 15 19 16 21 20 18 22 24 25 40 26 41 23 43 27 28 27 44 26 45 46 47 48 49 50 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 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 5.5301 7.2622 7.2622 5.5301 6.3961 5.5301 5.5301 6.3961 4.6641 5.5301 6.3961 4.6641 6.3961 7.2622 7.2622 6.3961 4.6641 4.6641 8.1282 6.3961 8.1282 3.7702 2.8641 3.7702 8.9942 8.9942 2.8641 2 6.6082 7.0067 4.0535 4.452 4.9196 5.3181 7.0067 6.6082 4.452 4.0535 5.8592 8.1282 8.1282 5.5301 3.7773 3.7773 9.5312 9.5312 2.3284 1.6879 1.4643 2.3121 4.31 1.31 -3.69 2.31 -0.19 -3.69 -1.69 2.81 2.81 1.31 3.81 3.81 0.81 -0.69 -1.69 -2.19 -3.19 -2.19 -0.19 -3.19 -2.19 -3.7247 -3.2108 -1.6553 -0.69 -1.69 -2.1692 -3.7142 2.2274 2.9177 2.9177 2.2274 1.4177 0.7274 3.7023 4.3926 4.3926 3.7023 -0.5 0.43 -2.81 -4.31 -4.3446 -1.0354 -0.38 -2 -1.8571 -3.1784 -4.0262 -4.2499 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 14 14 15 16 17 17 18 19 21 22 23 24 25 17 20 16 18 15 19 21 20 18 22 24 25 26 23 27 27 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 617 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C6081000000000000814000001E00100000000C08E1980632C083C00400A80325725400820000210200088801A874980A60B2C095B1972008609400D8C8071C88808E08000040000200201000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]-2-morpholino-acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]-2-(4-morpholinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(6-methyl-3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]-2-morpholin-4-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]-2-morpholin-4-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-2-morpholin-4-yl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-6-methyl-4H-quinoxalin-2-yl)phenyl]-2-morpholino-acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H22N4O3/c1-14-6-7-17-18(12-14)24-21(27)20(23-17)15-4-2-3-5-16(15)22-19(26)13-25-8-10-28-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)(H,24,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IPSJOSAVZFNOBG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)CN4CCOCC4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)CN4CCOCC4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 83 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 378.16919058 28 0 0 0 0 0 0 0 1 -1