216469 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 17 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 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 13 13 13 14 14 15 15 16 17 17 17 18 18 19 20 20 20 21 21 22 22 23 23 24 24 25 16 10 39 11 12 7 10 17 12 13 15 9 14 10 11 12 11 16 20 26 27 18 28 21 22 19 29 30 31 19 32 33 34 35 36 23 37 24 38 25 40 25 41 42 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 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 32 33 34 35 36 37 38 39 40 41 42 2.9176 6.3981 4.666 6.3981 4.666 7.2641 3.8 5.5321 3.8 5.5321 4.666 6.3981 7.2641 2.9061 8.1301 2.9061 4.666 2 2 8.1301 8.9962 8.1301 9.8622 8.9962 9.8622 6.6535 7.0521 2.9132 4.046 4.666 5.286 1.4643 1.4643 7.8201 8.6671 8.4401 8.9962 7.5932 6.3981 10.3991 8.9962 10.3991 1.7846 -1.25 1.75 1.75 -1.25 0.25 -0.75 0.25 0.25 -0.75 0.75 0.75 -0.75 -1.2847 0.75 0.7847 -2.25 -0.7708 0.2708 -1.25 0.25 1.75 0.75 2.25 1.75 -0.6423 -1.3326 -1.9046 -2.25 -2.87 -2.25 -1.0829 0.5829 -1.7869 -1.56 -0.7131 -0.37 2.06 -1.87 0.44 2.87 2.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 9 9 14 15 15 16 18 21 22 23 24 7 10 9 14 10 11 11 16 18 21 22 19 19 23 24 25 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 571 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 1 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 00000371E07B3000040000000000000000000000000000000000306080000000000000814000001E02000800000C0EC1982432C0830002008802A55250008200002527000888010866C808203AC99791842188608600C8CD471889809E00000000020300000000000004060000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-N-ethyl-2-hydroxy-1-methyl-4-oxo-N-phenyl-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-N-ethyl-2-hydroxy-1-methyl-4-oxo-N-phenyl-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-<I>N</I>-ethyl-2-hydroxy-1-methyl-4-oxo-<I>N</I>-phenylquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-N-ethyl-2-hydroxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloranyl-N-ethyl-1-methyl-2-oxidanyl-4-oxidanylidene-N-phenyl-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-N-ethyl-2-hydroxy-4-keto-1-methyl-N-phenyl-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,24H,3H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PVTNCGYZIYKPJX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.0927701 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H17ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(C1=CC=CC=C1)C(=O)C2=C(N(C3=C(C2=O)C(=CC=C3)Cl)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(C1=CC=CC=C1)C(=O)C2=C(N(C3=C(C2=O)C(=CC=C3)Cl)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.0927701 25 0 0 0 0 0 0 0 1 -1