54716015 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 9 8 8 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 2 2 3 4 4 4 5 5 6 6 7 7 7 10 10 11 11 12 12 13 13 13 14 14 15 16 17 17 18 18 19 19 20 16 9 31 8 5 8 10 6 11 9 12 8 9 13 16 17 14 21 15 22 23 24 25 15 26 28 18 19 27 20 29 20 30 32 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 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 2.934 4.666 6.3981 4.666 3.8 3.8 5.5321 5.5321 4.666 4.666 2.9061 2.9061 6.3981 2 2 3.8 5.5321 3.8 5.5321 4.666 2.9132 2.9132 6.7081 6.935 6.0881 1.4643 6.069 1.4643 3.2631 6.069 5.203 4.666 -1.155 2.845 -0.155 -0.155 0.345 1.345 1.345 0.345 1.845 -1.155 -0.1897 1.8797 1.845 0.3242 1.3658 -1.655 -1.655 -2.655 -2.655 -3.155 -0.8096 2.4996 1.3081 2.155 2.3819 0.0121 -1.345 1.6779 -2.965 -2.965 3.155 -3.775 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 10 10 11 12 14 16 17 18 19 5 8 6 11 9 12 8 9 16 17 14 15 15 18 19 20 20 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 434 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 00000371C07A3100000000000000000000000000000000000000306080000000000000814000001F00000800000C0C81980832C083000200880225525000820000212200088801006CC8082662C0919184700866C401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluorophenyl)-4-hydroxy-3-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluorophenyl)-4-hydroxy-3-methyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluorophenyl)-4-hydroxy-3-methylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluorophenyl)-4-hydroxy-3-methylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluorophenyl)-3-methyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluorophenyl)-4-hydroxy-3-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H12FNO2/c1-10-15(19)11-6-2-4-8-13(11)18(16(10)20)14-9-5-3-7-12(14)17/h2-9,19H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MUAPYXFLLZJUOP-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 2021.05.07 269.08520679 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H12FNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3F)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3F)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.08520679 20 0 0 0 0 0 0 0 1 -1