1566154 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 8 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 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 10 11 13 14 6 7 13 8 12 17 10 26 27 11 28 29 9 14 15 16 30 31 32 33 15 18 14 34 21 22 19 35 20 36 20 37 38 23 39 24 40 25 41 25 42 43 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 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 36 37 38 39 40 41 42 43 5.2531 3.3426 5.9674 4.6318 3.732 5.6103 3.9639 4.6783 5.2619 5.9209 4.2746 3.732 4.3211 4.9889 4.6783 6.2619 2.866 2.866 2 2 6.7619 6.7619 7.7619 7.7619 8.2619 6.2241 5.6308 3.5814 3.417 6.3035 6.4678 3.6608 4.254 4.8709 2.866 2.866 1.4631 1.4631 6.4519 6.4519 8.0719 8.0719 8.8819 -3.1756 -0.1178 0.2141 -1.2745 1.6756 -1.4807 -2.0188 1.3708 2.1756 -2.4313 -2.9693 2.6756 -0.324 0.4203 2.9803 2.1756 1.1756 3.1756 1.6756 2.6756 1.3095 3.0416 1.3095 3.0416 2.1756 -1.3934 -0.8611 -1.5309 -2.3108 -2.9192 -2.1392 -3.0567 -3.589 3.5696 0.5556 3.7956 1.3656 2.9856 0.7726 3.5785 0.7726 3.5785 2.1756 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 5 8 9 12 12 16 16 17 18 19 21 22 23 24 8 12 17 9 15 15 18 21 22 19 20 20 23 24 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 497 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000001600000003C588000000000005801F000001E00000000000C0CE19E063CC0B30C1C00A803B577540082802037022008D821B864D80A20FAC0D5B1872108608600D8C9071889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholino-2-(2-phenylindolizin-3-yl)ethane-1,2-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-morpholinyl)-2-(2-phenyl-3-indolizinyl)ethane-1,2-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholin-4-yl-2-(2-phenylindolizin-3-yl)ethane-1,2-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholin-4-yl-2-(2-phenylindolizin-3-yl)ethane-1,2-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholin-4-yl-2-(2-phenylindolizin-3-yl)ethane-1,2-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-morpholino-2-(2-phenylindolizin-3-yl)ethane-1,2-dione InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H18N2O3/c23-19(20(24)21-10-12-25-13-11-21)18-17(15-6-2-1-3-7-15)14-16-8-4-5-9-22(16)18/h1-9,14H,10-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YSSLWUQWTYMCLU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.13174244 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H18N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.13174244 25 0 0 0 0 0 0 0 1 -1