59783957 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 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 5 6 6 6 7 8 8 9 10 11 12 13 13 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 27 28 28 28 8 13 10 17 11 28 7 16 24 47 48 7 9 10 12 9 11 29 14 12 30 15 31 32 16 33 18 19 34 20 21 22 35 23 36 25 37 26 38 27 39 27 40 25 26 41 42 43 44 45 46 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 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 40 41 42 43 44 45 46 47 48 4.5981 8.0785 4.5981 8.0901 11.5193 7.1962 7.1962 5.4641 6.3301 8.0901 5.4641 6.3301 4.5981 8.9962 3.732 8.9962 8.9387 3.732 2.866 8.9271 9.8105 2.866 2 10.6591 9.7873 10.6707 2 4.5981 6.3301 6.3301 5.2087 4.8101 9.5319 9.5319 4.269 2.866 8.3867 9.8176 2.866 1.4631 9.7802 11.2111 1.4631 3.9781 4.5981 5.2181 11.5121 12.0598 -0.3472 0.6874 -2.3472 -2.3819 2.7273 -0.8472 -1.8472 -0.8472 -0.3472 -0.3126 -1.8472 -2.3472 0.6528 -0.8264 1.1528 -1.868 1.1973 2.1528 0.6528 2.1973 0.7074 2.6528 1.1528 2.2173 2.7072 1.2174 2.1528 -3.3472 0.2728 -2.9672 0.5451 1.2354 -0.5144 -2.1801 2.4628 0.0328 2.501 0.0874 3.2728 0.8428 3.3272 0.9136 2.4628 -3.3472 -3.9672 -3.3472 3.3472 2.4235 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 6 6 6 7 8 8 10 11 14 15 15 17 17 18 19 20 21 22 23 24 24 7 16 7 9 10 12 9 11 14 12 16 18 19 20 21 22 23 25 26 27 27 25 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 463 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CE19E063EC6F2481400A0033467440082882031222008D8203EEC980D26E2C4B19B86382AE6D019CAE807F0F0BF0E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(6-benzyloxy-7-methoxy-4-quinolyl)oxy]aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(7-methoxy-6-phenylmethoxy-4-quinolinyl)oxy]aniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(7-methoxy-6-phenylmethoxyquinolin-4-yl)oxyaniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(7-methoxy-6-phenylmethoxyquinolin-4-yl)oxyaniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(7-methoxy-6-phenylmethoxy-quinolin-4-yl)oxyaniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[(6-benzoxy-7-methoxy-4-quinolyl)oxy]phenyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H20N2O3/c1-26-22-14-20-19(13-23(22)27-15-16-5-3-2-4-6-16)21(11-12-25-20)28-18-9-7-17(24)8-10-18/h2-14H,15,24H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KVMBGOCBZSGGQK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.14739250 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H20N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=NC=CC(=C2C=C1OCC3=CC=CC=C3)OC4=CC=C(C=C4)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=NC=CC(=C2C=C1OCC3=CC=CC=C3)OC4=CC=C(C=C4)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 66.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.14739250 28 0 0 0 0 0 0 0 1 -1