53245555 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 9 8 8 7 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 2 2 3 3 4 4 4 5 5 6 7 7 8 8 9 9 9 11 12 12 12 13 14 14 15 15 16 18 18 19 19 19 20 20 21 21 22 22 23 23 25 25 25 26 26 26 24 16 25 17 26 7 11 12 6 10 13 8 14 10 15 10 11 13 27 19 28 29 18 16 30 17 31 17 20 21 32 33 34 22 35 23 36 24 37 24 38 39 40 41 42 43 44 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 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 2.3572 8.0641 6.2902 6.2781 3.5998 3.0162 6.2781 5.4121 4.546 4.546 5.4121 7.1441 3.5998 7.1881 5.396 7.1961 6.2941 3.2892 7.1441 2.3107 3.957 2 3.6464 2.6678 8.9282 5.4222 5.4121 7.7547 7.3562 7.7214 4.8555 6.5241 7.1441 7.7641 1.8966 4.5637 1.3933 4.0604 8.6161 9.4639 9.2402 5.7302 4.8841 5.1143 -4.3364 2.8156 3.8397 -0.2295 1.0752 0.2705 0.7705 1.2704 -0.2295 0.7705 -0.7295 -0.7295 -0.5343 1.2773 2.312 2.3189 2.8397 -1.4848 -1.7296 -1.691 -2.2291 -2.6415 -3.1796 -3.3858 2.3122 4.3364 -1.3496 -0.8372 -0.1469 0.9611 2.6157 -1.7296 -2.3495 -1.7296 -1.2296 -2.1012 -2.7694 -3.6411 1.7765 2.0002 2.848 4.8745 4.6443 3.7982 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 7 7 8 8 9 9 14 15 16 18 18 20 21 22 23 7 11 6 10 13 8 14 10 15 11 13 16 17 17 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 474 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001600000003C6080000000000058B1D000001F00080000000C0CC19E0E3EC6F30C1400A20334674400928C2031222018D8203EEC980D26E2C4F1DB84B42A66C819CAE807B0D0F30E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H18FN3O2/c1-4-24-11-15-19(12-5-7-13(21)8-6-12)22-23-20(15)14-9-17(25-2)18(26-3)10-16(14)24/h5-11H,4H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IETDKMWKRYTQJG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.13830499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H18FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C=C2C(=NN=C2C3=CC(=C(C=C31)OC)OC)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN1C=C2C(=NN=C2C3=CC(=C(C=C31)OC)OC)C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.13830499 26 0 0 0 0 0 0 0 1 -1