56642876 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 8 7 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 2 2 3 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 11 11 11 12 12 13 14 14 15 15 17 17 18 19 20 21 21 22 22 23 24 25 25 25 26 26 26 16 22 44 18 10 13 6 16 34 19 37 20 24 9 10 15 12 16 17 14 18 19 13 27 25 22 24 21 28 23 29 20 30 26 23 31 32 33 35 36 38 39 40 41 42 43 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 11 14 18 19 30 6 2 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 8.9962 4.666 4.666 5.5321 5.5321 6.3981 3.8 4.666 3.8 6.3981 5.5321 5.5321 7.2641 2.9061 4.666 2.9061 5.5321 6.3981 5.5321 2 8.1301 2 7.2641 6.3981 4.666 6.069 2.9132 2.9132 6.935 1.4643 7.7316 8.5287 6.069 1.4643 7.801 4.9951 6.0881 6.935 6.7081 4.976 4.1291 4.356 9.5331 -0.4827 2.5173 2.0173 -3.9827 -0.4827 0.5173 4.0173 -2.4827 -1.9827 -3.4827 2.0173 -2.4827 -3.4827 2.5173 -1.948 -0.9827 -4.0173 2.5173 1.0173 3.5173 -2.4618 2.0173 -3.5035 3.5173 -3.9827 4.0173 -2.1727 -1.328 -4.6373 0.7073 -2.1498 1.5424 1.5424 -0.7927 -3.8156 3.8273 0.8273 -4.5196 -4.2927 -3.4457 4.5543 4.3273 3.4804 2.2073 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 8 9 10 12 15 17 21 10 13 9 10 15 12 17 13 21 23 23 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 668 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E07BB0000000000000000000000000000000000000003C4080000000000000B1F000001E00180800000C0CE19E0632C0F26A1200A803A57654008280202502221AB8A13064D80834F2C0959184610864C000C8D9C79EC8C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]-2-methyl-quinoline-4-carbohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]-2-methyl-4-quinolinecarbohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-[(<I>Z</I>)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]-2-methylquinoline-4-carbohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]-2-methylquinoline-4-carbohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]-2-methyl-quinoline-4-carbohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]-2-methyl-cinchoninohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18N4O3/c1-11-7-15(14-5-3-4-6-17(14)22-11)19(26)23-21-9-16-13(10-24)8-20-12(2)18(16)25/h3-9,21,24H,10H2,1-2H3,(H,23,26)/b16-9- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BUJUREYZCBUYLL-SXGWCWSVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.13789045 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H18N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=C1)C(=O)NNC=C3C(=CN=C(C3=O)C)CO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=C1)C(=O)NN/C=C\3/C(=CN=C(C3=O)C)CO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.13789045 26 0 0 0 1 1 0 0 1 -1