69184834 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 9 8 8 8 7 7 7 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 5 5 6 7 7 8 8 8 9 9 10 11 11 12 13 14 15 15 16 17 17 17 18 18 19 19 20 21 21 23 23 23 24 24 24 22 12 17 13 23 19 24 6 10 16 20 22 9 10 11 15 16 14 12 25 13 14 26 18 20 27 19 28 29 21 30 31 32 33 22 34 35 36 37 38 39 40 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 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 8.9099 5.4641 5.4641 2.866 8.9561 9.8622 9.7932 8.0622 8.9561 8.0622 7.1962 6.3301 6.3301 7.1962 8.9446 9.8622 4.5981 8.0728 3.732 9.8047 8.0612 8.9214 5.4641 2 7.1962 7.1962 10.3979 4.1996 4.9966 7.5395 4.1306 3.3335 10.3452 7.5208 4.8441 5.4641 6.0841 2.31 1.4631 1.69 3.5172 -0.5172 -2.5172 -1.0172 -2.5519 -2.038 2.0273 -1.0172 -0.4825 -2.0172 -0.5172 -1.0172 -2.0172 -2.5172 0.5174 -0.9964 -1.0172 1.0074 -0.5172 1.0274 2.0073 2.5173 -3.5172 -0.5172 0.1028 -3.1372 -0.6843 -1.4921 -1.4921 0.6912 -0.0422 -0.0422 0.7236 2.311 -3.5172 -4.1372 -3.5172 0.0197 -0.2072 -1.0541 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 7 8 8 8 9 10 11 12 13 15 15 18 21 6 10 16 20 22 9 10 11 16 14 12 13 14 18 20 21 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 390 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31000000000000000000000000000000000000003C5880000000000000B1FC00001F00080000000C0CE19E0E3EC6F2081400A20334674400928C2031A22018D8203EEC980D26E2C4B19B86B82AE6C819CAE807B0D0F10EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoro-3-pyridyl)-7-methoxy-6-(2-methoxyethoxy)cinnoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoro-3-pyridinyl)-7-methoxy-6-(2-methoxyethoxy)cinnoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoropyridin-3-yl)-7-methoxy-6-(2-methoxyethoxy)cinnoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoropyridin-3-yl)-7-methoxy-6-(2-methoxyethoxy)cinnoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoranylpyridin-3-yl)-7-methoxy-6-(2-methoxyethoxy)cinnoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoro-3-pyridyl)-7-methoxy-6-(2-methoxyethoxy)cinnoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H16FN3O3/c1-22-5-6-24-16-7-12-13(11-3-4-17(18)19-9-11)10-20-21-14(12)8-15(16)23-2/h3-4,7-10H,5-6H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DUYOCTUCIVFKDW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.11756954 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H16FN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COCCOC1=C(C=C2C(=C1)C(=CN=N2)C3=CN=C(C=C3)F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COCCOC1=C(C=C2C(=C1)C(=CN=N2)C3=CN=C(C=C3)F)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.11756954 24 0 0 0 0 0 0 0 1 -1