70214505 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 8 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 2 2 2 3 3 4 4 4 5 5 6 8 8 9 9 10 10 11 11 11 12 12 13 14 15 15 16 17 18 18 19 19 20 20 21 7 6 7 23 14 17 5 6 10 7 8 12 9 22 13 17 15 24 13 14 18 16 25 26 19 16 27 28 29 20 30 21 31 21 32 33 2 1 1 1 1 2 1 1 2 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 5 4 7 8 9 22 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 6.6229 8.339 4.666 8.1719 7.2641 8.8397 7.3672 6.3981 5.5321 8.4826 3.8 9.8183 4.666 3.8 9.4611 10.1289 5.5321 2.9061 2.9061 2 2 6.3981 8.5892 8.0685 10.2323 4.666 9.6537 10.7356 6.069 2.9132 2.9132 1.4643 1.4643 -1.5549 -1.0963 -1.3983 0.5068 0.1017 -0.2375 -0.8871 0.6017 0.1017 1.4573 0.1017 -0.0313 0.6017 -0.8983 1.6635 0.9192 -0.8983 0.6363 -1.433 0.1225 -0.9191 1.2217 -1.6635 1.9188 -0.4928 1.2217 2.2528 1.0471 -1.2083 1.2563 -2.053 0.4346 -1.2312 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 9 9 10 11 11 11 12 14 15 18 19 20 14 17 6 10 8 12 13 17 15 13 14 18 16 19 16 20 21 21 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 445 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B20000000000000000000000000000001600000003C6080000000000058B1F400001E00100000000C08C19E043CC0F2C81000A8033577540082802031022008D8213864D80820F2C09591842008609400C8C9871C88C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-quinolylmethylene)indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-quinolinylmethylidene)-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(quinolin-3-ylmethylidene)-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(quinolin-3-ylmethylidene)-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(quinolin-3-ylmethylidene)-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-quinolylmethylene)oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H12N2O/c21-18-15(14-6-2-4-8-17(14)20-18)10-12-9-13-5-1-3-7-16(13)19-11-12/h1-11H,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YSNDWAQWWQVUEA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.094963011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H12N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(C=N2)C=C3C4=CC=CC=C4NC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=C(C=N2)C=C3C4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.094963011 21 0 0 0 1 0 1 0 1 -1