54690425 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 8 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 13 13 14 14 16 16 16 17 17 18 19 19 19 20 20 21 21 22 23 23 24 12 37 11 15 7 10 11 15 19 34 22 24 8 13 12 14 11 12 15 16 25 26 17 27 18 28 29 30 31 18 32 33 20 35 36 21 22 23 38 39 24 40 41 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 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 4.666 6.3981 6.3981 4.666 7.2641 10.7282 3.8 3.8 5.5321 4.666 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 8.1301 8.9962 8.9962 9.8622 9.8622 10.7282 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 8.5287 7.7316 4.1291 8.4592 9.8622 9.8622 11.2651 2.095 -0.905 2.095 -0.905 0.595 0.595 -0.405 0.595 0.595 -1.905 -0.405 1.095 -0.9397 1.1297 1.095 -2.405 -0.4258 0.6158 1.095 0.595 -0.405 1.095 -0.905 -0.405 -1.7973 -2.4876 -1.5596 1.7496 -2.9419 -2.715 -1.8681 -0.7379 0.9279 -0.025 1.57 1.57 2.405 -0.715 1.715 -1.525 -0.715 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 9 9 13 14 17 20 20 21 23 7 11 22 24 8 13 12 14 11 12 17 18 18 21 22 23 24 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 532 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 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 00000371E07B30000000000000000000000000000000000000003C408000000000000081C000001E00100800000C0CC19A043EC093C81200A8023577540082802031222008D8A1386CD80826EAC8D19184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-N-(3-pyridylmethyl)quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-N-(3-pyridinylmethyl)-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-<I>N</I>-(pyridin-3-ylmethyl)quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-oxidanyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-keto-N-(3-pyridylmethyl)quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17N3O3/c1-2-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-11-12-6-5-9-19-10-12/h3-10,22H,2,11H2,1H3,(H,20,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RVBCZKULBWPCRX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CN=CC=C3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CN=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 24 0 0 0 0 0 0 0 1 -1