25237207 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 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 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 6 6 7 7 7 8 8 9 10 10 11 12 12 13 13 14 14 16 16 17 17 18 18 19 20 20 21 21 23 23 24 24 25 25 25 26 26 27 28 28 29 22 25 15 9 10 5 15 39 23 27 29 8 9 13 11 15 14 11 12 30 16 17 18 31 19 32 20 33 21 34 19 35 36 22 37 22 38 24 40 26 27 41 42 43 28 44 45 29 46 47 1 1 2 1 2 1 1 1 2 1 2 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 5 -1 4 23 24 40 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 8.9962 3.8 4.666 5.5321 5.5321 7.2641 3.8 4.666 3.8 5.5321 5.5321 6.3981 2.9061 2.9061 4.666 6.3981 7.2641 2 2 7.2641 8.1301 8.1301 6.3981 6.3981 8.9962 5.5321 7.2641 5.5321 6.3981 6.069 2.9132 2.9132 5.8612 7.2641 1.4643 1.4643 7.2641 8.6671 6.069 6.935 8.3762 8.9962 9.6162 4.9951 7.801 4.9951 6.3981 -4.25 0.75 -2.75 0.75 1.75 4.75 -1.25 -0.75 -2.25 -2.25 -1.25 -2.75 -0.7153 -2.7847 0.25 -3.75 -2.25 -1.2292 -2.2708 -4.25 -2.75 -3.75 2.25 3.25 -5.25 3.75 3.75 4.75 5.25 -0.94 -0.0954 -3.4046 -4.06 -1.63 -0.9171 -2.5829 -4.87 -2.44 0.44 1.94 -5.25 -5.87 -5.25 3.44 3.44 5.06 5.87 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 7 7 7 8 9 10 12 12 13 14 16 17 18 20 21 24 24 26 28 9 10 27 29 8 9 13 11 14 11 16 17 18 19 20 21 19 22 22 26 27 28 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 561 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1FC00001E00180000000C0CC19E063EC6F26A1400A803357754009288203522201AD8213E6CD80C26F2C4B59B84312864C811C8E9879CD8E38EA0000000000200004000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxyphenyl)-N-[(E)-3-pyridylmethyleneamino]quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxyphenyl)-N-[(E)-3-pyridinylmethylideneamino]-4-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxyphenyl)-<I>N</I>-[(<I>E</I>)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxyphenyl)-N-[(E)-3-pyridylmethyleneamino]cinchoninamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H18N4O2/c1-29-18-10-8-17(9-11-18)22-13-20(19-6-2-3-7-21(19)26-22)23(28)27-25-15-16-5-4-12-24-14-16/h2-15H,1H3,(H,27,28)/b25-15+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QZJRDEBUMSOAKA-MFKUBSTISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.14297583 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H18N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.14297583 29 0 0 0 1 1 0 0 1 -1