51152111 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 8 8 7 7 7 6 6 6 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 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 10 10 12 13 13 14 14 15 15 16 16 17 17 19 19 20 20 21 21 22 22 23 24 25 25 26 26 27 11 18 6 11 29 12 18 34 9 26 7 9 28 14 15 10 11 13 17 12 16 19 18 30 20 31 21 32 22 33 25 35 23 36 24 37 24 38 23 39 40 41 27 42 27 43 44 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 6 3 7 9 28 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 3.8 6.3981 5.5321 4.666 6.3981 5.5321 4.666 4.666 6.3981 3.8 4.666 3.8 5.5321 4.666 3.8 2.9061 7.2641 5.5321 2.9061 3.8 2.934 2 2 2.934 8.1301 7.2641 8.1301 6.069 6.069 6.069 5.203 3.8 2.9132 4.666 7.2641 2.9132 3.8 2.397 1.4643 1.4643 2.397 8.6671 7.2641 8.6671 0.56 -2.94 0.56 -2.94 3.06 1.56 2.06 -0.94 2.06 -1.44 0.06 -2.44 -1.44 3.06 1.56 -0.9053 1.56 -2.44 -2.9747 3.56 2.06 -1.4192 -2.4608 3.06 2.06 3.56 3.06 1.25 0.25 -1.13 3.37 0.94 -0.2854 -3.56 0.94 -3.5946 4.18 1.75 -1.1071 -2.7729 3.37 1.75 4.18 3.37 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 7 8 8 9 10 10 12 13 14 15 16 17 19 20 21 22 25 26 12 18 9 26 3 14 15 10 13 17 12 16 19 18 20 21 22 25 23 24 24 23 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 582 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 00000371E07B30000000000000000000000000000000000000003C608100000000000081D000001E00100000000C28C19E043CC092C81000A8033577540082802031022008D8A13864D80860F2C09591942008609600C8C9871C88C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[phenyl(2-pyridyl)methyl]-1H-quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[phenyl(2-pyridinyl)methyl]-1H-quinoline-4-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-<I>N</I>-[phenyl(pyridin-2-yl)methyl]-1<I>H</I>-quinoline-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-quinoline-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanylidene-N-[phenyl(pyridin-2-yl)methyl]-1H-quinoline-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-keto-N-[phenyl(2-pyridyl)methyl]-1H-quinoline-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H17N3O2/c26-20-14-17(16-10-4-5-11-18(16)24-20)22(27)25-21(15-8-2-1-3-9-15)19-12-6-7-13-23-19/h1-14,21H,(H,24,26)(H,25,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LYSGEYORFFOIJF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC(=O)NC4=CC=CC=C43 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 2021.05.07 355.132076794 27 1 0 1 0 0 0 0 1 -1