67265212 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 8 7 6 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 5 6 6 6 7 8 8 9 9 11 12 13 13 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 25 25 25 26 26 27 27 28 22 8 13 11 17 10 25 7 16 7 9 11 12 10 12 10 29 14 30 15 31 32 16 33 18 19 34 22 23 20 35 21 36 24 37 24 38 26 27 39 40 41 42 43 28 44 28 45 46 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 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 9.822 4.5981 8.0785 4.5981 8.0901 7.1962 7.1962 5.4641 6.3301 5.4641 8.0901 6.3301 4.5981 8.9962 3.732 8.9962 8.9387 3.732 2.866 2.866 2 9.8105 8.9271 2 4.5981 10.6707 9.7873 10.6591 6.3301 6.3301 4.8101 5.2087 9.5319 9.5319 4.269 2.866 2.866 1.4631 8.3867 1.4631 5.2181 4.5981 3.9781 11.2111 9.7802 11.1924 1.0274 -1.0272 2.0074 0.9728 -1.0619 0.4728 -0.5272 -0.5272 0.9728 0.4728 1.0074 -1.0272 -2.0272 0.4936 -2.5272 -0.5481 2.5173 -3.5272 -2.0272 -4.0272 -2.5272 2.0274 3.5173 -3.5272 1.9728 2.5374 4.0272 3.5373 1.5928 -1.6472 -2.6098 -1.9196 0.8056 -0.8601 -3.8372 -1.4072 -4.6472 -2.2172 3.821 -3.8372 1.9728 2.5928 1.9728 2.2336 4.6472 3.8535 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 6 7 8 8 9 11 14 15 15 17 17 18 19 20 21 22 23 26 27 7 16 7 9 11 12 10 12 10 14 16 18 19 22 23 20 21 24 24 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 473 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A31000000000000000000000000000000000000003C60C1000000000000B1F400001F00000000000C0CE19E0E3EC6F2081400A0033467440082882031222008D8203EEC980D26E2C4B19B86382AE6C019CAE807F0F0BF0E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-benzyloxy-4-(2-fluorophenoxy)-6-methoxy-quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(2-fluoranylphenoxy)-6-methoxy-7-phenylmethoxy-quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-benzoxy-4-(2-fluorophenoxy)-6-methoxy-quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18FNO3/c1-26-22-13-17-19(14-23(22)27-15-16-7-3-2-4-8-16)25-12-11-20(17)28-21-10-6-5-9-18(21)24/h2-14H,15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WXZNREYGQRPYAT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.12707160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18FNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 40.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.12707160 28 0 0 0 0 0 0 0 1 -1