57523651 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 45 46 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 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 5 6 6 7 7 7 8 8 9 10 10 11 11 12 12 14 15 16 16 17 17 17 18 18 19 20 20 22 22 22 23 23 24 24 25 25 25 26 26 27 27 28 21 12 17 13 25 5 9 15 19 21 8 9 10 11 15 14 13 29 16 19 13 14 30 31 18 32 20 33 34 21 22 35 23 24 36 37 38 26 39 27 40 43 44 45 28 41 28 42 46 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 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 44 45 46 8.0438 4.5981 4.5981 8.0901 8.9962 7.1952 7.1962 8.0901 7.1962 6.3301 8.0785 5.4641 5.4641 6.3301 8.9962 8.9387 4.5981 8.9271 7.2068 3.732 8.0554 9.7873 2.866 3.732 3.732 2 2.866 2 6.3301 6.3301 9.5319 9.4792 4.8101 5.2087 6.6735 10.1035 10.3207 9.4712 2.866 4.269 1.4631 2.866 3.422 3.1951 4.042 1.4631 4.5172 -1.5172 0.4828 -1.5519 -1.038 3.0073 -0.0172 0.5175 -1.0172 0.4828 1.5174 -1.0172 -0.0172 -1.5172 0.0036 2.0274 -2.5172 3.0273 2.0074 -3.0172 3.5173 3.5373 -2.5172 -4.0172 -0.0172 -3.0172 -4.5172 -4.0172 1.1028 -2.1372 0.3157 1.7236 -3.0998 -2.4095 1.6912 3.004 3.8535 4.0706 -1.8972 -4.3272 -2.7072 -5.1372 0.5197 -0.3272 -0.5541 -4.3272 8 8 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 9 10 11 11 12 12 16 18 20 20 23 24 26 27 5 9 15 19 21 8 9 10 15 14 13 16 19 13 14 18 21 23 24 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 490 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31000000000000000000000000000000000000003C7881000000000000B1FC00001F00080000000C0CE19E0E3EC6F2081400A20334674400928C2031A22018D8203EEC980D26E2C4B19B86B82AE6C819CAE807B0D0F10EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-benzyloxy-4-(6-fluoro-5-methyl-3-pyridyl)-6-methoxy-cinnoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoro-5-methyl-3-pyridinyl)-6-methoxy-7-phenylmethoxycinnoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoro-5-methylpyridin-3-yl)-6-methoxy-7-phenylmethoxycinnoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoro-5-methylpyridin-3-yl)-6-methoxy-7-phenylmethoxycinnoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(6-fluoranyl-5-methyl-pyridin-3-yl)-6-methoxy-7-phenylmethoxy-cinnoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-benzoxy-4-(6-fluoro-5-methyl-3-pyridyl)-6-methoxy-cinnoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H18FN3O2/c1-14-8-16(11-24-22(14)23)18-12-25-26-19-10-21(20(27-2)9-17(18)19)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZIKBFTLLRYXKJB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.13830499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H18FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CN=C1F)C2=CN=NC3=CC(=C(C=C32)OC)OCC4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CN=C1F)C2=CN=NC3=CC(=C(C=C32)OC)OCC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.13830499 28 0 0 0 0 0 0 0 1 -1