54706216 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 42 43 44 45 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 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 15 15 16 18 18 19 20 20 21 21 22 22 23 14 16 45 17 6 14 39 17 19 40 7 8 24 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 13 35 36 37 38 15 16 17 18 19 20 21 22 41 23 42 23 43 44 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 40 41 42 43 44 45 6.3981 4.666 6.3981 7.2641 4.666 8.1301 7.9996 8.9235 8.6084 9.9149 9.5998 10.5237 10.3932 6.3981 5.5321 4.666 5.5321 3.8 3.8 2.9061 2.9061 2 2 7.5741 7.6222 7.4268 8.4316 9.1608 8.6893 8.0356 9.834 10.4877 10.0917 9.3626 10.9011 11.0965 11.0079 10.6304 7.2641 4.666 2.9132 2.9132 1.4643 1.4643 4.1291 1.3523 1.3523 -1.6477 -0.1477 -1.6477 0.3523 1.3438 -0.2564 2.1371 -0.1259 2.2677 0.6675 1.6589 0.3523 -0.1477 0.3523 -1.1477 -0.1477 -1.1477 0.387 -1.6823 -0.1268 -1.1685 0.6266 1.8357 1.1065 -0.6339 -0.8292 2.7518 2.3744 -0.7406 -0.3632 2.6451 2.8405 0.1756 0.9047 1.578 2.2317 -0.7677 -2.2677 1.007 -2.3023 0.1852 -1.4806 1.6623 8 8 8 8 8 8 8 8 8 8 8 5 5 15 15 16 18 18 19 20 21 22 17 19 16 17 18 19 20 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 493 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000000000000304000000000180000810000001E00100800000C2CC1980430C082C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0A00E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclooctyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclooctyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclooctyl-4-hydroxy-2-oxo-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclooctyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclooctyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclooctyl-4-hydroxy-2-keto-1H-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H22N2O3/c21-16-13-10-6-7-11-14(13)20-18(23)15(16)17(22)19-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H,19,22)(H2,20,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UZUFXRDBMNZRDM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.16304257 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H22N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCCC(CCC1)NC(=O)C2=C(C3=CC=CC=C3NC2=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCCC(CCC1)NC(=O)C2=C(C3=CC=CC=C3NC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.16304257 23 0 0 0 0 0 0 0 1 -1