51468192 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 8 8 7 7 7 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 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 11 12 12 12 13 13 14 14 15 15 17 17 18 18 19 20 20 21 21 22 10 16 6 10 24 9 16 30 11 21 11 12 23 8 9 14 10 13 15 17 25 26 27 16 28 18 29 19 31 20 32 19 33 34 22 35 22 36 37 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 6 3 11 12 23 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 3.8 6.3981 5.5321 4.666 6.3981 5.5321 3.8 4.666 3.8 4.666 6.3981 4.666 5.5321 2.9061 2.9061 5.5321 7.2641 2 2 8.1301 7.2641 8.1301 6.069 6.069 4.976 4.1291 4.356 6.069 2.9132 4.666 2.9132 7.2641 1.4643 1.4643 8.6671 7.2641 8.6671 0.56 -2.94 0.56 -2.94 3.06 1.56 -1.44 -0.94 -2.44 0.06 2.06 2.06 -1.44 -0.9053 -2.9747 -2.44 1.56 -1.4192 -2.4608 2.06 3.56 3.06 1.25 0.25 2.5969 2.37 1.5231 -1.13 -0.2854 -3.56 -3.5946 0.94 -1.1071 -2.7729 1.75 4.18 3.37 8 8 8 8 6 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 7 7 8 9 11 13 14 15 17 18 20 21 9 16 11 21 3 8 9 14 13 15 17 16 18 19 20 19 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 475 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C07B30000000000000000000000000000000000000003C408000000000000081C000001E00100000000C28C19E043EC092C81000A8033577540082802031022008D8A13864D80860F2C09591942008609600C8C9871C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[(1R)-1-(2-pyridyl)ethyl]-1H-quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[(1R)-1-(2-pyridinyl)ethyl]-1H-quinoline-4-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-<I>N</I>-[(1<I>R</I>)-1-pyridin-2-ylethyl]-1<I>H</I>-quinoline-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[(1R)-1-pyridin-2-ylethyl]-1H-quinoline-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanylidene-N-[(1R)-1-pyridin-2-ylethyl]-1H-quinoline-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-keto-N-[(1R)-1-(2-pyridyl)ethyl]-1H-quinoline-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O2/c1-11(14-7-4-5-9-18-14)19-17(22)13-10-16(21)20-15-8-3-2-6-12(13)15/h2-11H,1H3,(H,19,22)(H,20,21)/t11-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LHOHVUGQSHIODM-LLVKDONJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=N1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@H](C1=CC=CC=N1)NC(=O)C2=CC(=O)NC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.116426730 22 1 1 0 0 0 0 0 1 -1