57801438 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 8 8 9 9 9 10 11 12 13 15 15 16 16 17 17 18 18 19 19 20 20 21 22 23 23 24 24 25 26 26 27 14 7 10 28 12 14 30 11 23 35 25 27 7 8 14 13 12 15 10 11 16 17 13 18 29 19 31 20 32 21 33 22 34 22 36 21 37 38 39 24 25 26 40 41 27 42 43 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 6 8 14 7 2 13 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 7.5121 4.666 7.973 4.666 7.2641 6.3981 5.5321 6.5011 3.8 3.8 4.666 7.4796 5.5321 7.3059 5.8333 2.9061 2.9061 7.7903 6.144 2 2 7.1225 5.5321 5.5321 6.3981 6.3981 7.2641 4.666 6.069 8.5893 5.2266 2.9132 2.9132 8.397 4.1291 5.7299 1.4643 1.4643 7.3151 4.9951 6.3981 6.3981 7.801 0.3285 -1.0551 -1.387 1.9449 2.4449 -1.0551 -0.5551 -2.0438 0.4449 -0.5551 0.9449 -2.2501 0.4449 -0.65 -2.7881 0.9795 -1.0898 -3.2006 -3.7387 0.4657 -0.5759 -3.9449 2.4449 3.4449 1.9449 3.9449 3.4449 -1.6751 0.7549 -1.3201 -2.6603 1.5995 -1.7097 -3.3284 2.2549 -4.2001 0.7778 -0.888 -4.5342 3.7549 1.3249 4.5649 3.7549 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 8 8 9 9 10 12 15 16 17 18 19 20 23 23 24 26 25 27 12 15 10 16 17 18 19 20 21 22 22 21 24 25 26 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 655 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000001600000003C608100000000005881D000001E00100000000C08C19A043CC092C81000A8023577540082802031122008D8213874D80860F2C0D591942008609400C8C9471C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[4-(3-pyridylamino)-1H-quinolin-2-ylidene]indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[4-(3-pyridinylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>E</I>)-3-[4-(pyridin-3-ylamino)-1<I>H</I>-quinolin-2-ylidene]-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[4-(pyridin-3-ylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[4-(pyridin-3-ylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3E)-3-[4-(3-pyridylamino)-1H-quinolin-2-ylidene]oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H16N4O/c27-22-21(16-8-2-4-10-18(16)26-22)20-12-19(24-14-6-5-11-23-13-14)15-7-1-3-9-17(15)25-20/h1-13,24-25H,(H,26,27)/b21-20+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MLZYKQBUCOEIPB-QZQOTICOSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.13241115 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H16N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=CC(=C3C4=CC=CC=C4NC3=O)N2)NC5=CN=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=C/C(=C\3/C4=CC=CC=C4NC3=O)/N2)NC5=CN=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.13241115 27 0 0 0 1 1 0 0 1 -1