59734216 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 9 8 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 2 3 3 3 4 4 5 5 6 7 7 8 8 9 9 11 11 12 13 13 14 14 15 15 16 17 17 17 18 18 19 20 20 20 12 10 6 10 21 5 7 6 8 11 9 10 13 17 12 15 16 22 14 16 23 18 20 19 24 25 26 27 28 19 29 30 31 32 33 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 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 5.5321 6.3981 4.666 4.666 3.8 3.8 5.5321 2.9061 6.3981 5.5321 2.9061 6.3981 2 7.2641 7.2641 2 2.9176 8.1301 8.1301 7.2641 4.666 2.9132 1.4643 7.2641 1.4643 2.2977 2.9248 3.5376 8.6671 8.6671 6.6441 7.2641 7.8841 -1.56 1.94 1.94 -0.06 0.44 1.44 0.44 -0.0947 -0.06 1.44 1.9747 -1.06 0.4192 -1.56 0.44 1.4608 -1.0946 -1.06 -0.06 -2.56 2.56 2.5946 0.1071 1.06 1.7729 -1.1018 -1.7146 -1.0874 -1.37 0.25 -2.56 -3.18 -2.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 7 8 9 9 11 12 13 14 15 18 6 10 5 7 6 8 11 10 13 12 15 16 14 16 18 19 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 423 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 1 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 00000371C07B2100000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980832C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071888C08E00000240000200200000048000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-fluoro-3-methyl-phenyl)-5-methyl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-fluoro-3-methylphenyl)-5-methyl-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-fluoro-3-methylphenyl)-5-methyl-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-fluoro-3-methylphenyl)-5-methyl-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-fluoranyl-3-methyl-phenyl)-5-methyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-fluoro-3-methyl-phenyl)-5-methyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13FN2O/c1-9-5-3-7-11(13(9)17)15-16(20)18-12-8-4-6-10(2)14(12)19-15/h3-8H,1-2H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BCZQYJQKWSBGBV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.10119120 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H13FN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C(=CC=C1)NC(=O)C(=N2)C3=CC=CC(=C3F)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C(=CC=C1)NC(=O)C(=N2)C3=CC=CC(=C3F)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 268.10119120 20 0 0 0 0 0 0 0 1 -1