25337150 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 8 9 9 9 10 10 10 12 12 13 13 14 15 15 17 17 18 19 19 20 20 21 21 22 11 16 9 11 27 8 16 30 14 21 7 8 13 11 12 15 10 23 24 14 25 26 16 28 17 29 19 18 31 18 32 33 20 34 22 35 22 36 37 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 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 3.8 6.3981 5.5321 4.666 5.5321 3.8 4.666 3.8 5.5321 6.3981 4.666 5.5321 2.9061 6.3981 2.9061 5.5321 2 2 7.2641 7.2641 5.5321 6.3981 5.32 4.9215 6.6101 7.0087 6.069 6.069 2.9132 4.666 2.9132 1.4643 1.4643 7.801 7.801 4.9951 6.3981 -0.19 -3.69 -0.19 -3.69 2.81 -2.19 -1.69 -3.19 0.81 1.31 -0.69 -2.19 -1.6553 2.31 -3.7247 -3.19 -2.1692 -3.2108 2.81 3.81 3.81 4.31 1.3926 0.7023 0.7274 1.4177 -0.5 -1.88 -1.0354 -4.31 -4.3446 -1.8571 -3.5229 2.5 4.12 4.12 4.93 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 6 7 8 12 13 14 15 17 19 20 21 8 16 14 21 7 8 13 12 15 16 17 19 18 18 20 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 461 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B30000000000000000000000000000000000000003C408000000000000081C000001E00100000000C08C19E043CC092C81000A8033577540082802031022008D8A13864D80820F2C0D591842008609600C8C9871C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[2-(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-[2-(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>-(2-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-(2-pyridin-2-ylethyl)-1H-quinoline-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanylidene-N-(2-pyridin-2-ylethyl)-1H-quinoline-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-keto-N-[2-(2-pyridyl)ethyl]-1H-quinoline-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O2/c21-16-11-14(13-6-1-2-7-15(13)20-16)17(22)19-10-8-12-5-3-4-9-18-12/h1-7,9,11H,8,10H2,(H,19,22)(H,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OUIBRUCSSURELS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.3 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 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCCC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NCCC3=CC=CC=N3 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 0 0 0 0 0 0 0 1 -1