67265211 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 47 48 49 50 9 8 8 8 7 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 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 7 8 9 9 10 10 12 13 14 14 14 15 15 16 16 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 25 26 27 27 28 28 29 23 9 14 12 18 11 25 8 17 48 49 50 8 10 12 13 11 13 11 30 15 31 16 32 33 17 34 19 20 35 23 24 21 36 22 37 26 38 26 39 27 28 40 41 42 43 44 29 45 29 46 47 1 1 1 1 1 1 1 2 1 1 1 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 47 48 49 50 8.359 3.135 6.6155 3.135 6.627 4.874 5.7331 5.7331 4.001 4.8671 4.001 6.627 4.8671 3.135 7.5331 2.269 7.5331 7.4756 1.403 2.269 0.5369 1.403 8.3474 7.4641 3.135 0.5369 9.2076 8.3243 9.196 4.8671 4.8671 3.3471 3.7456 8.0688 8.0688 1.403 2.8059 0 1.403 6.9236 3.755 3.135 2.515 0 9.7481 8.3171 9.7293 5.411 4.3371 4.874 5.6747 3.62 6.6546 5.62 3.5853 11.9279 5.12 4.12 4.12 5.62 5.12 5.6547 3.62 2.62 5.1408 2.12 4.0992 7.1646 2.62 1.12 2.12 0.62 6.6746 8.1645 6.62 1.12 7.1846 8.6745 8.1845 6.24 3 2.0374 2.7277 5.4529 3.7871 3.24 0.81 2.43 0 8.4683 6.62 7.24 6.62 0.81 6.8808 9.2944 8.5007 12.2379 12.2379 11.3079 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 7 7 7 8 9 9 10 12 15 16 16 18 18 19 20 21 22 23 24 27 28 8 17 8 10 12 13 11 13 11 15 17 19 20 23 24 21 22 26 26 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 473 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 1 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 00000371E07B31000000000000000000000000000000000000003C60C1000000000000B1F400001F00100000000C0CE19E0E3EC6F2081400A0033467440082882031222008D8203EEC980D26E2C4B19B86382AE6C019CAE807F0F0BF0E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonia;7-benzyloxy-4-(2-fluorophenoxy)-6-methoxy-quinoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonia;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 azane;4-(2-fluoranylphenoxy)-6-methoxy-7-phenylmethoxy-quinoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonia;7-benzoxy-4-(2-fluorophenoxy)-6-methoxy-quinoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H18FNO3.H3N/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;1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MEPMEYJIWGKDLA-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.15362070 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H21FN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F.N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F.N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.15362070 29 0 0 0 0 0 0 0 2 -1