54679653 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 17 8 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 2 2 3 4 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 11 14 14 15 15 16 16 16 17 17 19 20 20 20 22 22 23 23 24 25 25 26 24 12 35 13 18 21 9 13 16 8 18 34 21 36 10 14 12 15 12 13 18 17 27 19 28 29 30 31 19 32 33 21 22 23 24 37 25 38 26 26 39 40 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 12.4603 4.666 6.3981 6.3981 8.9962 4.666 7.2641 8.1301 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 4.666 2 6.3981 2 9.8622 8.9962 10.7282 9.8622 11.5942 10.7282 11.5942 2.9132 2.9132 4.046 4.666 5.286 1.4643 1.4643 7.2641 4.1291 8.1301 10.7282 9.3252 10.7282 12.1312 0.25 1.75 -1.25 1.75 -0.75 -1.25 0.25 0.75 -0.75 0.25 0.25 0.75 -0.75 -1.2847 0.7847 -2.25 -0.7708 0.75 0.2708 0.75 0.25 0.25 1.75 0.75 2.25 1.75 -1.9046 1.4046 -2.25 -2.87 -2.25 -1.0829 0.5829 -0.37 2.06 1.37 -0.37 2.06 2.87 2.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 9 9 10 10 11 11 14 15 17 20 20 22 23 24 25 9 13 10 14 12 15 12 13 17 19 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 636 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3800040000000000000000000000000000000000306080000000000000814000001E02180800000C0E81982432C0836202008802255250008200002527021AA801086EC808263AC9D79184710866C601C8D98798C8208E00000020000200000000004000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(3-chlorobenzoyl)-4-hydroxy-1-methyl-2-oxo-quinoline-3-carbohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3-chlorophenyl)-oxomethyl]-4-hydroxy-1-methyl-2-oxo-3-quinolinecarbohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-(3-chlorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(3-chlorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(3-chlorophenyl)carbonyl-1-methyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carbohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(3-chlorobenzoyl)-4-hydroxy-2-keto-1-methyl-quinoline-3-carbohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H14ClN3O4/c1-22-13-8-3-2-7-12(13)15(23)14(18(22)26)17(25)21-20-16(24)10-5-4-6-11(19)9-10/h2-9,23H,1H3,(H,20,24)(H,21,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HNAFAYBMXXJMTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.0672836 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H14ClN3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNC(=O)C3=CC(=CC=C3)Cl)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNC(=O)C3=CC(=CC=C3)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 98.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.0672836 26 0 0 0 0 0 0 0 1 -1