69359322 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 9 8 8 8 7 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 2 2 3 3 4 4 5 5 6 6 6 7 8 9 9 10 11 11 13 13 14 14 15 15 16 17 18 18 19 19 19 20 20 21 22 22 22 23 23 23 17 8 13 10 22 12 23 7 16 7 8 9 11 14 10 24 12 12 25 15 17 16 26 18 19 27 20 21 28 29 30 31 21 32 33 34 35 36 37 38 39 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 2 2 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 5.4573 5.4804 2 2 5.492 4.5981 4.5981 5.492 3.732 2.866 3.732 2.866 6.3406 6.3981 7.2124 6.3981 6.3291 8.0726 7.224 7.1893 8.061 2 2 3.732 3.732 6.9338 6.9338 8.6131 6.604 7.2311 7.8439 7.1821 8.5943 2.62 2 1.38 1.38 2 2.62 3.0072 1.0074 -0.0272 -2.0272 -2.0619 -0.5272 -1.5272 0.0074 -0.0272 -0.5272 -2.0272 -1.5272 1.5173 -0.5064 1.0274 -1.5481 2.5173 1.5374 0.0274 3.0272 2.5373 0.9728 -3.0272 0.5928 -2.6472 -0.1944 -1.8601 1.2336 0.0203 -0.5925 0.0346 3.6472 2.8535 0.9728 1.5928 0.9728 -3.0272 -3.6472 -3.0272 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 6 7 8 9 10 11 13 13 14 15 17 18 20 7 16 7 8 9 11 14 10 12 12 15 17 16 18 20 21 21 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 383 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A31000000000000000000000000000000000000003C6080000000000000B1F400001F00000000000C0CC19E0E3EC6F2081400A0033467440082882031222008D8203EEC980D26E2C4B19B86382AE6C019CAE807F0F0BF0E20400102000A40004080020400148000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-fluoro-6-methyl-phenoxy)-6,7-dimethoxy-quinoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-fluoro-6-methylphenoxy)-6,7-dimethoxyquinoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-fluoro-6-methylphenoxy)-6,7-dimethoxyquinoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-fluoro-6-methylphenoxy)-6,7-dimethoxyquinoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-fluoranyl-6-methyl-phenoxy)-6,7-dimethoxy-quinoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-fluoro-6-methyl-phenoxy)-6,7-dimethoxy-quinoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H16FNO3/c1-11-5-4-6-13(19)18(11)23-15-7-8-20-14-10-17(22-3)16(21-2)9-12(14)15/h4-10H,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IQAQUHCHAYVONO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.11142153 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H16FNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=CC=C1)F)OC2=C3C=C(C(=CC3=NC=C2)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=CC=C1)F)OC2=C3C=C(C(=CC3=NC=C2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.11142153 23 0 0 0 0 0 0 0 1 -1