56592260 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 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 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 6 6 7 7 7 8 8 9 10 11 12 12 13 13 14 15 15 16 18 18 18 19 20 20 21 21 22 22 23 24 24 24 25 25 25 19 16 24 17 25 5 9 18 10 11 14 8 9 10 11 12 14 13 15 16 26 19 20 27 17 28 17 29 30 31 21 22 32 23 33 23 34 35 36 37 38 39 40 41 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 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 2 6.6474 8.4213 3.957 3.3734 6.6353 4.9032 5.7693 4.9032 3.957 6.6353 5.7532 3.6464 5.7693 7.5453 6.6512 7.5533 3.6464 2.6678 4.3142 2.3572 4.0035 3.025 7.5115 9.2854 5.2127 5.7693 8.0786 3.057 3.4537 4.2357 4.9209 1.7505 4.4176 2.8324 7.8235 8.0472 7.1994 8.9733 9.8211 9.5974 0.0585 2.4106 1.3864 -1.9634 -1.1587 -1.6587 -0.6587 -0.1587 -1.6587 -0.3539 -0.6587 0.8828 0.5966 -2.1587 -0.1518 1.4106 0.8898 -2.9139 0.8028 1.3409 1.7533 2.2914 2.4976 2.9139 0.8831 1.1866 -2.7787 -0.468 -2.7213 -3.5032 -3.1065 1.213 1.8812 2.7529 3.087 2.3782 3.226 3.4497 0.3474 0.571 1.4188 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 6 7 7 7 8 8 9 11 12 13 13 15 16 19 20 21 22 5 9 10 11 14 8 9 10 11 12 14 15 16 19 20 17 17 21 22 23 23 0 Compound Canonicalized 5 2012.01.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 468 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001600000003C6080000000000058B1FE00001F00080000000C0CC19E0E3EC6F2081400A20334674400928C2431B22018D8203EFC980D66E2C4F1DB94B42A66C819CAE807B0D0F30EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-fluorophenyl)-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-fluorophenyl)-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-fluorophenyl)-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H16FN3O2/c1-23-15-10-21-14-9-17(25-3)16(24-2)8-12(14)18(15)19(22-23)11-6-4-5-7-13(11)20/h4-10H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UKHUNEONKVZNBJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.12265492 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H16FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C3=CC(=C(C=C3N=C2)OC)OC)C(=N1)C4=CC=CC=C4F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C3=CC(=C(C=C3N=C2)OC)OC)C(=N1)C4=CC=CC=C4F 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 2021.05.07 337.12265492 25 0 0 0 0 0 0 0 1 -1