68820331 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 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 2 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 13 15 15 16 16 17 17 18 18 19 19 20 20 20 21 21 22 23 23 24 25 25 26 27 27 28 14 6 10 30 8 18 20 13 14 31 26 28 7 12 11 14 9 12 10 15 16 13 17 29 19 21 32 22 33 23 34 25 26 24 35 36 37 38 22 39 40 24 41 42 27 43 44 28 45 46 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 6 2 12 7 11 14 3 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 5.7568 4.666 4.666 7.473 7.2641 5.5321 6.3981 4.666 3.8 3.8 7.3059 5.5321 7.9737 6.5011 2.9061 2.9061 7.6165 5.5321 8.9522 3.8 2 2 8.595 9.2629 5.5321 6.3981 6.3981 7.2641 6.069 4.666 7.7232 2.9132 2.9132 7.2025 9.3663 4.11 3.2631 3.49 1.4643 1.4643 8.7876 9.8696 4.9951 6.3981 6.3981 7.801 -3.274 -1.6174 1.3826 -2.8153 1.8826 -1.1174 -1.6174 0.3826 -0.1174 -1.1174 -1.2123 -0.1174 -1.9566 -2.6061 0.4173 -1.6521 -0.2618 1.8826 -1.7504 1.8826 -0.0966 -1.1382 -0.0555 -0.7999 2.8826 1.3826 3.3826 2.8826 0.1926 -2.2374 -3.3826 1.0372 -2.272 0.1997 -2.2118 2.4195 2.1926 1.3457 0.2155 -1.4503 0.5338 -0.672 3.1926 0.7626 4.0026 3.1926 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 9 9 10 11 11 13 15 16 17 18 18 19 21 23 25 27 26 28 7 10 15 16 13 17 19 21 22 23 25 26 24 22 24 27 28 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 684 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 2 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 00000371E07BA0000000000000000000000000000001600000003C608100000000005881D000001E00100000000C08C19A043EC093C81000A8023577540082802031122008D8213874D80860F2C0D591942008609400C8C9471C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[4-[methyl(3-pyridyl)amino]-1H-quinolin-2-ylidene]indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[4-[methyl(3-pyridinyl)amino]-1H-quinolin-2-ylidene]-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[4-[methyl(pyridin-3-yl)amino]-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 3-[4-[methyl(pyridin-3-yl)amino]-1H-quinolin-2-ylidene]-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[4-[methyl(pyridin-3-yl)amino]-1H-quinolin-2-ylidene]-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[4-[methyl(3-pyridyl)amino]-1H-quinolin-2-ylidene]oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18N4O/c1-27(15-7-6-12-24-14-15)21-13-20(25-18-10-4-2-8-16(18)21)22-17-9-3-5-11-19(17)26-23(22)28/h2-14,25H,1H3,(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IIKNWSAMRXSKKA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.14806121 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C1=CN=CC=C1)C2=CC(=C3C4=CC=CC=C4NC3=O)NC5=CC=CC=C52 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C1=CN=CC=C1)C2=CC(=C3C4=CC=CC=C4NC3=O)NC5=CC=CC=C52 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 57.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.14806121 28 0 0 0 1 0 1 0 1 -1