4031872 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 9 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 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 9 10 10 11 12 12 12 14 14 15 15 16 17 18 19 19 20 20 21 21 22 23 23 24 24 25 25 26 16 13 8 12 27 10 13 32 9 11 18 25 8 9 14 15 13 11 19 20 18 28 29 16 30 17 31 17 33 23 21 34 22 35 22 36 37 24 38 26 39 26 40 41 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 8.9962 6.3981 5.5321 4.666 4.666 3.8 6.3981 6.3981 5.5321 3.8 3.8 5.5321 5.5321 7.2641 7.2641 8.1301 8.1301 4.666 2.9061 2.9061 2 2 4.666 3.8 2.934 2.934 4.9951 6.1426 5.7441 7.2641 7.2641 4.666 8.6671 2.9132 2.9132 1.4643 1.4643 5.203 3.8 2.397 2.397 -1.44 -2.94 0.56 -2.94 -0.94 1.56 -0.94 0.06 -1.44 -2.44 -1.44 1.56 -2.44 -1.44 0.56 -0.94 0.06 2.06 -2.9747 -0.9053 -2.4608 -1.4192 3.06 3.56 2.06 3.06 0.25 1.4523 2.1426 -2.06 1.18 -3.56 0.37 -3.5946 -0.2854 -2.7729 -1.1071 3.37 4.18 1.75 3.37 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 8 9 10 10 11 14 15 16 18 19 20 21 23 24 25 10 13 9 11 18 25 8 14 15 13 11 19 20 16 17 17 23 21 22 22 24 26 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 540 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 00000371C07BA1000000000000000000000000000000000000003C608100000000000081D000001F00100000000C08C19E0C3CC092C81000A8033577540082802031022008D8A13874980860F2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[5-fluoro-2-(2-pyridylmethylamino)phenyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[5-fluoro-2-(2-pyridinylmethylamino)phenyl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[5-fluoro-2-(pyridin-2-ylmethylamino)phenyl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[5-fluoro-2-(pyridin-2-ylmethylamino)phenyl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[5-fluoranyl-2-(pyridin-2-ylmethylamino)phenyl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[5-fluoro-2-(2-pyridylmethylamino)phenyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H15FN4O/c21-13-8-9-16(23-12-14-5-3-4-10-22-14)15(11-13)19-20(26)25-18-7-2-1-6-17(18)24-19/h1-11,23H,12H2,(H,25,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PNYTWKYFIUHHCF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.12298928 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H15FN4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)NCC4=CC=CC=N4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)NCC4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.12298928 26 0 0 0 0 0 0 0 1 -1