54712871 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 8 8 7 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 3 3 3 4 4 4 5 6 6 7 8 8 9 9 10 10 11 13 13 14 14 14 15 15 15 16 16 17 17 18 18 19 19 20 7 32 12 5 12 22 5 6 7 9 11 14 8 12 13 10 21 11 15 23 16 17 24 25 26 27 28 29 18 30 19 31 20 33 20 34 35 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 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 5.5301 7.2622 5.5301 4.6641 4.6641 3.7702 5.5301 6.3961 3.7702 2.8641 2.8641 6.3961 7.2622 3.7817 2 7.2622 8.1282 8.1282 8.9942 8.9942 3.7773 5.5301 2.3284 4.4017 3.7889 3.1618 1.6879 1.4643 2.3121 6.7252 8.1282 4.9932 8.1282 9.5312 9.5312 1.56 -1.44 -1.44 0.06 -0.94 0.5947 0.56 0.06 -1.4747 -0.9608 0.0808 -0.94 0.56 1.5946 -1.4642 1.56 0.06 2.06 0.56 1.56 -2.0946 -2.06 0.3929 1.5874 2.2146 1.6018 -0.9284 -1.7762 -1.9999 1.87 -0.56 1.87 2.68 0.25 1.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 6 7 8 9 10 13 13 16 17 18 19 5 12 5 6 7 9 11 8 12 10 11 16 17 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 423 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A3000000000000000000000000000000000000000306080000000000000814000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082632C0959184700866D401C8D90798C8F08EC0000240001200008000048000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-5,7-dimethyl-3-phenyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-5,7-dimethyl-3-phenyl-1H-quinolin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-5,7-dimethyl-3-phenyl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-5,7-dimethyl-3-phenyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,7-dimethyl-4-oxidanyl-3-phenyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-5,7-dimethyl-3-phenyl-carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H15NO2/c1-10-8-11(2)14-13(9-10)18-17(20)15(16(14)19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,18,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PPLSLNORHQCJDZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.110278721 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H15NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C2C(=C1)NC(=O)C(=C2O)C3=CC=CC=C3)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C2C(=C1)NC(=O)C(=C2O)C3=CC=CC=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.110278721 20 0 0 0 0 0 0 0 1 -1