54713255 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 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 7 7 8 8 8 11 12 12 13 13 14 14 15 15 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 27 28 28 29 9 16 11 38 10 16 6 10 12 7 14 9 15 9 10 11 13 20 21 16 17 18 30 19 31 22 23 19 32 33 24 34 25 35 27 36 28 37 26 39 26 40 41 29 42 29 43 44 1 1 1 1 2 2 1 1 1 1 2 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 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 5.5022 5.5138 7.2622 3.732 8.1282 8.1282 7.2622 6.3961 6.3961 7.2622 5.5022 8.9942 4.5961 9.0382 7.2461 4.5961 3.732 9.0462 8.1441 8.9942 9.8602 3.7359 2.8641 9.8602 10.7263 10.7263 2.8718 2 2.0038 9.5715 6.7056 9.5844 8.1418 8.4573 9.8602 4.274 2.8617 4.9804 9.8602 11.2632 11.2632 2.8742 1.4619 1.4681 1.0138 -2.0555 -2.0209 1.0033 -0.5209 0.4791 0.9791 -0.5209 0.4791 -1.0209 -1.0556 -1.0209 -0.5417 0.986 2.0206 0.4999 -1.045 2.0276 2.5484 -2.0209 -0.5209 -2.045 -0.5484 -2.5209 -1.0209 -2.0209 -2.5484 -1.0517 -2.0517 0.6698 2.3244 2.3355 3.1684 -2.3309 0.0991 -2.353 0.0716 -2.3717 -3.1409 -0.7109 -2.3309 -3.1684 -0.7438 -2.3638 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 6 6 7 7 8 8 8 11 12 12 13 14 15 17 17 18 20 21 22 23 24 25 27 28 9 16 6 10 7 14 9 15 9 10 11 13 20 21 16 18 19 22 23 19 24 25 27 28 26 26 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 755 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A38000000000000000000000000000000000000003060C1020000000000815000001E00000800000C0C81980030C883000600880225D25800820800212200088801006CC8082676C0B59986700866E401C8F90798C8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-3,6-diphenyl-pyrano[3,2-c]quinoline-2,5-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-3,6-diphenylpyrano[3,2-c]quinoline-2,5-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-3,6-diphenylpyrano[3,2-c]quinoline-2,5-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-3,6-diphenylpyrano[3,2-c]quinoline-2,5-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-oxidanyl-3,6-diphenyl-pyrano[3,2-c]quinoline-2,5-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-3,6-diphenyl-pyrano[3,2-c]quinoline-2,5-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H15NO4/c26-21-19(15-9-3-1-4-10-15)24(28)29-22-17-13-7-8-14-18(17)25(23(27)20(21)22)16-11-5-2-6-12-16/h1-14,26H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WQQHFBAGXIRQKT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.10010796 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H15NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C3=C(C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)OC2=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C3=C(C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)OC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.10010796 29 0 0 0 0 0 0 0 1 -1