53558289 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 8 7 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 7 8 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 19 19 19 20 20 20 9 6 9 21 7 8 10 34 35 7 10 12 8 11 9 15 17 13 22 14 23 16 19 18 20 16 24 25 18 26 27 28 29 30 31 32 33 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 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 7.2622 5.5301 5.5301 6.3961 7.2622 4.6641 6.3961 4.6641 6.3961 7.2622 3.7702 8.1282 2.8641 8.9942 3.7702 2.8641 8.1282 8.9942 2 9.8602 5.5301 3.7773 8.1282 3.7773 2.3284 8.1282 9.5312 1.6879 1.4643 2.3121 9.5502 10.3972 10.1703 6.3961 5.8592 -1.75 -1.75 0.25 1.75 0.25 -1.25 -0.25 -0.25 -1.25 1.25 -1.7847 -0.25 -1.2708 0.25 0.2847 -0.2292 1.75 1.25 -1.7742 -0.25 -2.37 -2.4046 -0.87 0.9046 0.0829 2.37 1.56 -1.2384 -2.0862 -2.3099 -0.7869 -0.56 0.2869 2.37 1.44 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 6 7 8 10 11 12 13 14 15 17 6 9 7 8 10 12 8 11 9 15 17 13 14 16 18 16 18 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 420 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88C08E08000240000200201000048000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-methyl-phenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-methylphenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-methylphenyl)-7-methyl-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-methylphenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-azanyl-5-methyl-phenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-methyl-phenyl)-7-methyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H15N3O/c1-9-3-5-12(17)11(7-9)15-16(20)19-14-8-10(2)4-6-13(14)18-15/h3-8H,17H2,1-2H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SDSAPZLHAWIWIM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)N)C2=NC3=C(C=C(C=C3)C)NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)N)C2=NC3=C(C=C(C=C3)C)NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.121512110 20 0 0 0 0 0 0 0 1 -1