70583459 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 46 47 48 49 8 8 8 8 7 7 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 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 12 12 12 13 13 13 14 14 15 15 15 16 16 16 17 18 19 19 20 21 22 22 24 25 25 25 11 21 46 23 24 11 14 38 18 23 45 8 10 11 26 9 27 28 12 29 30 13 31 32 15 33 34 35 36 37 17 19 39 40 41 17 18 21 42 20 20 43 44 22 23 24 25 47 48 49 2 1 1 2 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 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 7 8 10 11 26 3 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 46 47 48 49 6.3243 10.7262 12.4583 12.4583 7.1961 10.7262 5.4641 4.5961 3.732 5.4679 6.3282 2.8641 4.6038 8.0602 2 9.8602 8.9663 9.8602 8.0602 8.9663 10.7262 11.5923 11.5923 12.4583 13.3243 6.0022 4.1958 4.9928 4.1324 3.3353 6.0781 5.6822 2.4637 3.2608 4.9159 4.0681 4.2918 7.1985 2.3121 1.4643 1.6879 8.9734 7.5245 8.9734 10.7262 10.1893 13.0143 13.8613 13.6343 -0.9296 1.5429 -1.4571 1.5429 0.5671 -1.4571 0.5738 0.0771 0.5804 1.5737 0.0704 0.0838 2.0771 0.0637 0.5871 0.0429 0.5776 -0.9571 -0.9779 -1.4917 0.5429 0.0429 -0.9571 0.5429 0.0429 0.8817 -0.3963 -0.3994 1.0538 1.0569 1.4637 2.1555 -0.3896 -0.3927 2.6128 2.3891 1.5413 1.1871 1.1228 0.8992 0.0514 1.1975 -1.29 -2.1117 -2.0771 1.8529 -0.494 -0.2671 0.5799 8 8 3 8 8 8 8 8 8 8 8 8 6 6 7 14 14 16 16 16 18 19 21 22 18 23 10 17 19 17 18 21 20 20 22 23 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 570 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000304000000000000000810000001E00100800000D0C81980032C082C002008802A5525000820000212200088801006CC808263AC8919184700866D401C8D907B8C8200E00008040000200000001008000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetyl-4-hydroxy-2-oxo-1H-quinolin-6-yl)-2-ethyl-hexanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetyl-4-hydroxy-2-oxo-1H-quinolin-6-yl)-2-ethylhexanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3-acetyl-4-hydroxy-2-oxo-1<I>H</I>-quinolin-6-yl)-2-ethylhexanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetyl-4-hydroxy-2-oxo-1H-quinolin-6-yl)-2-ethylhexanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-ethanoyl-4-oxidanyl-2-oxidanylidene-1H-quinolin-6-yl)-2-ethyl-hexanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetyl-4-hydroxy-2-keto-1H-quinolin-6-yl)-2-ethyl-hexanamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H24N2O4/c1-4-6-7-12(5-2)18(24)20-13-8-9-15-14(10-13)17(23)16(11(3)22)19(25)21-15/h8-10,12H,4-7H2,1-3H3,(H,20,24)(H2,21,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DYLWPURPUFUOSC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.17360725 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H24N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(CC)C(=O)NC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(CC)C(=O)NC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 95.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.17360725 25 1 0 1 0 0 0 0 1 -1