15534726 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 6 7 7 7 8 8 9 10 11 11 12 12 14 14 14 15 15 15 16 17 17 18 18 19 19 20 13 5 13 23 6 11 16 34 35 6 9 10 8 9 14 10 15 21 22 12 13 16 17 24 25 26 27 28 29 18 19 30 20 31 20 32 33 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 4.6641 4.6641 2.8641 2.8641 3.7702 3.7702 6.3961 7.2622 6.3961 2 2 7.2622 8.1282 8.1282 8.9942 8.9942 3.7773 3.7773 5.5301 1.6879 1.4643 2.3121 2.3121 1.4643 1.6879 8.1282 8.1282 9.5312 9.5312 6.3961 5.8592 -1.75 -1.75 0.25 1.75 -1.25 -0.25 -1.2708 -0.2292 -1.7847 0.2847 -0.25 0.25 -1.25 -1.7742 0.2742 1.25 -0.25 1.75 0.25 1.25 -2.4046 0.9046 -2.37 -1.2384 -2.0862 -2.3099 0.8099 0.5862 -0.2616 -0.87 2.37 -0.06 1.56 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 7 7 8 11 12 12 16 17 18 19 5 13 6 11 6 9 10 8 9 10 13 16 17 18 19 20 20 0 Compound Canonicalized 5 2010.01.29 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 00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E88000040001200201000008000240040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-6,7-dimethyl-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H15N3O/c1-9-7-13-14(8-10(9)2)19-16(20)15(18-13)11-5-3-4-6-12(11)17/h3-8H,17H2,1-2H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GQUNLTCXTRCVIB-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=CC2=C(C=C1C)N=C(C(=O)N2)C3=CC=CC=C3N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1C)N=C(C(=O)N2)C3=CC=CC=C3N 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