53337405 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 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 1 1 2 2 3 3 3 4 5 5 6 6 7 7 8 8 9 10 10 11 12 13 13 14 14 15 15 16 16 17 17 18 19 19 21 22 22 22 23 23 23 24 24 24 25 25 25 18 24 20 25 4 6 26 9 11 12 7 8 9 12 11 13 10 14 17 16 27 18 28 15 29 19 22 20 30 21 31 20 21 23 32 33 34 35 36 37 38 39 40 41 42 43 44 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 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 7.2687 9.0426 4.5783 3.9947 7.2566 5.5246 5.5246 6.3906 4.5783 4.2677 7.2566 6.3906 6.3745 3.2892 2.9785 8.1666 4.9355 7.2726 3.6464 8.1746 4.6249 2 3.3357 6.4008 9.9067 4.3857 6.3906 5.834 2.8751 8.6999 5.5422 5.0389 1.8721 1.3933 2.1279 2.7464 3.1431 3.925 6.7087 5.8626 6.0928 9.5946 10.4424 10.2187 3.8397 2.8156 1.0752 0.2705 -0.2295 0.7705 -0.2295 1.2704 -0.5343 -1.4848 0.7705 -0.7295 2.312 -1.691 -2.6415 1.2773 -2.2291 2.8397 -3.3858 2.3189 -3.1796 -2.8478 -4.3364 4.3364 2.3122 1.6645 -1.3496 2.6157 -1.2296 0.9611 -2.1012 -3.6411 -2.2411 -2.9756 -3.4544 -4.1438 -4.9257 -4.529 4.8745 4.6443 3.7982 1.7765 2.0002 2.848 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 5 5 6 6 7 7 8 8 10 10 11 13 14 15 16 17 18 19 4 6 9 11 12 7 8 9 12 11 13 14 17 16 18 15 19 20 21 20 21 0 Compound Canonicalized 5 2011.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371E07B30000000000000000000000000000001600000003C6080000000000058B1FE00001E00180000000C0CC19E063EC6F26B1400A20334674400928C2031222018F9203EEC980D26E2C4F1DB84B42A66C819CAE807B0D0F30EE040030200124000C080060400248000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1<I>H</I>-pyrazolo[4,3-c]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19N3O2/c1-11-5-6-13(7-12(11)2)19-15-10-21-16-9-18(25-4)17(24-3)8-14(16)20(15)23-22-19/h5-10H,1-4H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RHGQVRRZSPCHJT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=C(C=C1)C2=NNC3=C2C=NC4=CC(=C(C=C43)OC)OC)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=C(C=C1)C2=NNC3=C2C=NC4=CC(=C(C=C43)OC)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.147726857 25 0 0 0 0 0 0 0 1 -1