68950731 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 8 8 8 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 3 4 4 4 5 5 6 6 7 7 7 10 10 11 12 12 13 13 13 14 14 15 15 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 25 26 26 27 8 36 9 11 5 9 10 6 12 8 14 8 9 11 18 19 13 15 28 16 29 30 17 31 17 32 22 23 33 20 34 21 35 24 37 24 38 25 39 26 40 41 27 42 27 43 44 1 1 2 2 1 1 1 1 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 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 36 37 38 39 40 41 42 43 44 4.666 6.3981 7.2641 4.666 3.8 3.8 5.5321 4.666 5.5321 4.666 6.3981 2.9061 6.3981 2.9061 2 7.2641 2 3.8 5.5321 3.8 5.5321 7.2641 8.1301 4.666 8.1301 8.9962 8.9962 2.9132 6.186 5.7875 2.9132 1.4643 1.4643 3.2631 6.069 4.1291 3.2631 6.069 6.7272 8.1301 4.666 8.1301 9.5331 9.5331 2 -1 0.5 -1 -0.5 0.5 0.5 1 -0.5 -2 1 -1.0347 2 1.0347 -0.5208 2.5 0.5208 -2.5 -2.5 -3.5 -3.5 3.5 2 -4 4 2.5 3.5 -1.6546 2.5826 1.8923 1.6546 -0.8329 0.8329 -2.19 -2.19 2.31 -3.81 -3.81 3.81 1.38 -4.62 4.62 2.19 3.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 10 10 12 14 15 16 16 18 19 20 21 22 23 25 26 5 9 6 12 8 14 8 9 18 19 15 17 17 22 23 20 21 24 24 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 599 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000000000000003060C1000000000000815000001E00000800000C0C81980030C0830002008802A5525000820000212200088801006CC808267AC8959184700866C401C8D90798C8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-phenyl-3-(2-phenylacetyl)quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-3-(1-oxo-2-phenylethyl)-1-phenyl-2-quinolinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-phenyl-3-(2-phenylacetyl)quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-phenyl-3-(2-phenylacetyl)quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-oxidanyl-1-phenyl-3-(2-phenylethanoyl)quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-phenyl-3-(2-phenylacetyl)carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H17NO3/c25-20(15-16-9-3-1-4-10-16)21-22(26)18-13-7-8-14-19(18)24(23(21)27)17-11-5-2-6-12-17/h1-14,26H,15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BUWYQFQHDAEUSP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.12084340 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H17NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.12084340 27 0 0 0 0 0 0 0 1 -1