67265141 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 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 1 1 2 2 3 3 4 4 5 5 5 6 7 7 8 8 10 11 12 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 24 24 25 25 26 26 27 7 12 10 16 9 24 6 15 6 8 10 11 9 11 9 28 13 29 14 30 31 15 32 17 18 33 21 22 19 34 20 35 23 36 23 37 25 38 26 39 40 41 42 43 27 44 27 45 46 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 2 1 1 1 2 1 2 1 1 1 1 1 2 1 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 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 2.866 3.732 2 2.866 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 2.866 4.269 1.4631 2.866 9.8176 8.3867 1.4631 5.2181 4.5981 3.9781 11.2111 9.7802 11.1924 -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 -2.0272 -3.5272 -2.5272 -4.0272 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 -1.4072 -3.8372 -2.2172 -4.6472 1.4074 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 4 4 5 5 5 6 7 7 8 10 13 14 14 16 16 17 18 19 20 21 22 25 26 6 15 6 8 10 11 9 11 9 13 15 17 18 21 22 19 20 23 23 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 433 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371E07A30000000000000000000000000000000000000003C60C1000000000000B1F400001E00000000000C0CE19E063EC6F2081400A0033467440082882031222008D8203EEC980D26E2C4B19B86382AE6C019CAE807F0F0BF0E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-benzyloxy-6-methoxy-4-phenoxy-quinoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-phenoxy-7-phenylmethoxyquinoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-phenoxy-7-phenylmethoxyquinoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-phenoxy-7-phenylmethoxyquinoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-4-phenoxy-7-phenylmethoxy-quinoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-benzoxy-6-methoxy-4-phenoxy-quinoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H19NO3/c1-25-22-14-19-20(15-23(22)26-16-17-8-4-2-5-9-17)24-13-12-21(19)27-18-10-6-3-7-11-18/h2-15H,16H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SCYREZGRTOPLLT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.13649347 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H19NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.4 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=C4 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=C4 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 2021.05.07 357.13649347 27 0 0 0 0 0 0 0 1 -1