13976 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 8 9 10 11 11 11 12 12 12 13 14 17 17 18 18 19 19 20 20 21 21 22 22 23 24 15 16 7 13 27 8 14 28 7 9 15 8 10 16 10 9 25 26 13 15 17 14 16 18 19 20 21 29 22 30 23 31 24 32 23 33 24 34 35 36 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 2 1 2 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 4.7926 8.2894 4.781 8.301 5.675 7.407 5.675 7.407 6.541 6.541 3.8749 9.207 3.8749 9.207 4.781 8.301 2.9438 10.1382 2.9438 10.1382 2 11.082 2 11.082 6.541 6.541 4.7882 8.2938 2.951 10.131 2.951 10.131 1.4643 11.6177 1.4643 11.6177 2.0346 -2.0346 -1.0347 1.0347 0.5 -0.5 -0.5 0.5 1 -1 0.5208 -0.5208 -0.5208 0.5208 1.0347 -1.0347 1.0777 -1.0777 -1.0777 1.0777 0.5425 -0.5425 -0.5425 0.5425 1.62 -1.62 -1.6546 1.6546 1.6977 -1.6977 -1.6977 1.6977 0.8546 -0.8546 -0.8546 0.8546 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 3 3 4 4 5 5 5 6 6 6 7 8 11 11 11 12 12 12 13 14 17 18 19 20 21 22 7 13 8 14 7 9 15 8 10 16 10 9 13 15 17 14 16 18 19 20 21 22 23 24 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 500 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B30000000000000000000000000000000000000003C78C1020000000000B15000001E00100000000C0C81980030C082C000008802A45240008200002502000888010064C808207AC09591842188609000C8C9C71C88C08E40008040000200008001008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,12-dihydroquinolino[2,3-b]acridine-7,14-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,12-dihydroquinolin[2,3-b]acridine-7,14-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NRCMAYZCPIVABH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.089877630 24 0 0 0 0 0 0 0 1 3