55778598 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 45 46 47 48 49 50 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 6 6 1 1 1 1 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 5 6 6 6 7 8 8 9 9 10 11 11 14 14 15 15 16 16 17 17 17 18 18 19 19 20 21 21 22 22 22 23 23 24 25 25 26 26 27 27 28 28 29 12 13 7 12 17 9 16 22 10 13 33 7 8 14 15 11 13 10 18 21 12 30 19 31 20 32 25 26 34 35 36 23 37 20 38 39 24 40 41 42 43 24 44 45 27 46 28 47 29 48 29 49 50 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 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 38 39 40 41 42 43 44 45 46 47 48 49 50 6.3981 3.8 4.666 7.2641 5.5321 3.8 3.8 4.666 6.3981 5.5321 5.5321 5.5321 4.666 2.9061 2.9061 8.1301 4.666 6.3981 2 2 4.666 7.2641 5.5321 4.666 8.9962 8.1301 9.8622 8.9962 9.8622 6.069 2.9132 2.9132 6.069 4.046 4.666 5.286 6.935 1.4643 1.4643 4.1291 6.6441 7.2641 7.8841 5.5321 4.1291 8.9962 7.5932 10.3991 8.9962 10.3991 -2.75 0.75 -2.75 1.75 0.75 -1.25 -2.25 -0.75 2.25 1.75 -1.25 -2.25 0.25 -0.7153 -2.7847 2.25 -3.75 3.25 -1.2292 -2.2708 2.25 0.75 3.75 3.25 1.75 3.25 2.25 3.75 3.25 -0.94 -0.0954 -3.4046 0.44 -3.75 -4.37 -3.75 3.56 -0.9171 -2.5829 1.94 0.75 0.13 0.75 4.37 3.56 1.13 3.56 1.94 4.37 3.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 6 7 8 9 9 10 11 14 15 16 16 18 19 21 23 25 26 27 28 7 12 7 8 14 15 11 10 18 21 12 19 20 25 26 23 20 24 24 27 28 29 29 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 640 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0881980432C083C000008802255250008200002102000888010874C8086072C09591942008609600C8C9871C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-4-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-<I>N</I>-[2-(<I>N</I>-methylanilino)phenyl]-2-oxoquinoline-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[2-(N-methylanilino)phenyl]-2-oxoquinoline-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[2-[methyl(phenyl)amino]phenyl]-2-oxidanylidene-quinoline-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-keto-1-methyl-N-[2-(N-methylanilino)phenyl]cinchoninamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H21N3O2/c1-26(17-10-4-3-5-11-17)22-15-9-7-13-20(22)25-24(29)19-16-23(28)27(2)21-14-8-6-12-18(19)21/h3-16H,1-2H3,(H,25,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WZIFHASKFHOQDA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.16337692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H21N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C(=CC1=O)C(=O)NC3=CC=CC=C3N(C)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2C(=CC1=O)C(=O)NC3=CC=CC=C3N(C)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.16337692 29 0 0 0 0 0 0 0 1 -1