16187882 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 16 8 8 7 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 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 11 12 13 13 14 14 15 15 15 16 16 17 18 18 18 20 21 21 21 22 22 23 24 25 25 25 10 18 11 19 7 9 11 19 20 38 20 24 8 13 10 14 15 26 27 12 12 28 16 29 17 30 31 32 33 17 34 35 19 36 37 22 23 24 25 23 39 40 41 42 43 44 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 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 43 44 4.666 6.3981 4.666 4.666 6.3981 5.5321 3.8 3.8 4.666 4.666 5.5321 5.5321 2.9061 2.9061 5.5321 2 2 5.5321 5.5321 6.3981 6.3981 7.2641 7.2641 5.5321 6.3981 4.0555 4.454 6.069 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 5.7441 6.1426 6.935 7.801 7.801 4.9951 7.0181 6.3981 5.7781 -0.75 -3.75 1.25 -3.75 1.25 2.75 -3.25 -2.25 -4.75 -1.75 -3.25 -2.25 -3.7847 -1.7153 -5.25 -3.2708 -2.2292 -0.25 0.75 2.25 4.25 2.75 3.75 3.75 5.25 -4.6423 -5.3326 -1.94 -4.4046 -1.0954 -5.7869 -5.56 -4.7131 -3.5829 -1.9171 -0.8326 -0.1423 0.94 2.44 4.06 4.06 5.25 5.87 5.25 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 8 10 11 13 14 16 20 21 21 22 7 11 20 24 8 13 10 14 12 12 16 17 17 22 23 24 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 537 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30004000000000000000000000000000000000003C408000000000000081C000001E04100000000C08C5DA04BFF093C81008A8023777740082802931023009D8203864D88820E2E09991842008689702E8C9271080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(1-ethyl-2-oxo-4-quinolyl)sulfanyl]-N-(5-methyl-2-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-N-(5-methyl-2-pyridinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-<I>N</I>-(5-methylpyridin-2-yl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(5-methylpyridin-2-yl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-(5-methylpyridin-2-yl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-(5-methyl-2-pyridyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19N3O2S/c1-3-22-15-7-5-4-6-14(15)16(10-19(22)24)25-12-18(23)21-17-9-8-13(2)11-20-17/h4-11H,3,12H2,1-2H3,(H,20,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PRFVIZGKJXBZKU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.11979803 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=NC=C(C=C3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=NC=C(C=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 353.11979803 25 0 0 0 0 0 0 0 1 -1