54705971 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 9 8 8 7 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 2 2 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 10 10 11 13 13 13 14 14 15 15 16 16 17 9 31 12 11 12 24 6 7 18 19 8 20 21 9 12 13 22 23 10 11 14 15 25 26 27 16 28 17 29 17 30 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 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 2 5.5301 7.2622 5.5301 7.2622 8.1282 6.3961 8.9942 5.5301 4.6641 4.6641 6.3961 9.8602 3.7702 3.7702 2.8641 2.8641 7.6607 6.8636 7.7297 8.5267 9.3928 8.5957 5.5301 9.5502 10.3972 10.1703 3.7773 3.7773 2.3284 6.0671 -1.3692 1.655 -1.345 -1.345 0.655 0.155 0.155 0.655 0.655 0.155 -0.845 -0.845 0.155 0.6897 -1.3797 0.1758 -0.8658 1.13 1.13 -0.3199 -0.3199 1.13 1.13 -1.965 -0.3819 -0.155 0.6919 1.3096 -1.9996 0.4879 1.965 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 9 10 10 11 14 15 16 11 12 9 12 10 11 14 15 16 17 17 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 340 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723100000000000000000000000000000000000000304000000000000000810000001F00100800000C0C81980832C082C00200880225525000820000212200088801006CC8082632C0919184700866D401C8D90798C8200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-7-fluoro-4-hydroxy-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-7-fluoranyl-4-oxidanyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-butyl-7-fluoro-4-hydroxy-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H14FNO2/c1-2-3-4-10-12(16)9-6-5-8(14)7-11(9)15-13(10)17/h5-7H,2-4H2,1H3,(H2,15,16,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ISFYESDZUPXFAL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 235.10085685 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H14FNO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 235.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC1=C(C2=C(C=C(C=C2)F)NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC1=C(C2=C(C=C(C=C2)F)NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 235.10085685 17 0 0 0 0 0 0 0 1 -1