54684069 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 9 8 8 8 7 7 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 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 13 13 14 14 15 15 15 17 17 18 19 19 20 21 21 22 22 23 23 24 20 12 35 11 16 7 9 11 16 19 34 8 13 12 14 15 25 26 11 12 16 17 27 18 28 29 30 31 18 32 33 20 21 22 23 36 24 37 24 38 39 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 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 36 37 38 39 7.2641 4.666 6.3981 6.3981 4.666 7.2641 3.8 3.8 4.666 5.5321 5.5321 4.666 2.9061 2.9061 5.5321 6.3981 2 2 8.1301 8.1301 8.9962 8.9962 9.8622 9.8622 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 4.1291 8.9962 8.9962 10.3991 10.3991 2.5 2 -1 2 -1 0.5 -0.5 0.5 -2 0.5 -0.5 1 -1.0347 1.0347 -2.5 1 -0.5208 0.5208 1 2 0.5 2.5 1 2 -1.8923 -2.5826 -1.6546 1.6546 -3.0369 -2.81 -1.9631 -0.8329 0.8329 -0.12 2.31 -0.12 3.12 0.69 2.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 10 10 13 14 17 19 19 20 21 22 23 7 11 8 13 12 14 11 12 17 18 18 20 21 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 548 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C07B3100000000000000000000000000000000000000306080000000000000814000001F00100800000C0CC1980C32C083C00200880225525000820000212200088801086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-N-(2-fluorophenyl)-4-hydroxy-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-N-(2-fluorophenyl)-4-hydroxy-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-<I>N</I>-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-N-(2-fluorophenyl)-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-N-(2-fluorophenyl)-4-hydroxy-2-keto-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H15FN2O3/c1-2-21-14-10-6-3-7-11(14)16(22)15(18(21)24)17(23)20-13-9-5-4-8-12(13)19/h3-10,22H,2H2,1H3,(H,20,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PSDKLPHPFVFIKY-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 2021.05.07 326.10667051 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H15FN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3F)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3F)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.10667051 24 0 0 0 0 0 0 0 1 -1