66835880 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 9 9 9 10 10 11 11 12 13 13 14 14 16 16 17 17 18 18 19 20 21 22 23 23 24 24 25 25 26 27 27 27 28 28 28 8 14 12 27 15 28 7 22 21 41 42 7 8 10 13 18 11 16 17 12 29 21 23 15 15 30 19 20 19 31 20 32 22 33 34 35 24 36 25 37 26 38 26 39 40 43 44 45 46 47 48 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 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 40 41 42 43 44 45 46 47 48 5.4804 2 2 5.492 9.8045 4.5981 4.5981 5.492 8.061 3.732 8.9212 2.866 3.732 6.3406 2.866 7.1893 8.0726 6.3981 6.3291 7.2124 9.793 6.3981 8.9096 10.6531 9.7698 10.6416 2 2 3.732 3.732 7.1821 8.6131 6.9338 5.7886 7.2196 6.9338 8.3692 11.1936 9.7626 11.1749 10.345 9.2712 2.62 2 1.38 1.38 2 2.62 0.2424 -0.7922 -2.7922 -2.8269 0.7924 -1.2922 -2.2922 -0.7576 1.7723 -0.7922 2.2823 -1.2922 -2.7922 0.7524 -2.2922 2.2623 0.7724 -1.2714 1.7523 0.2624 1.7924 -2.313 3.2822 2.3023 3.7922 3.3023 0.2078 -3.7922 -0.1722 -3.4122 2.8822 0.4686 -0.9593 2.0561 -0.3576 -2.6251 3.586 1.9986 4.4122 3.6184 0.4886 0.4762 0.2078 0.8278 0.2078 -3.7922 -4.4122 -3.7922 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 9 9 10 11 11 12 13 14 14 16 17 18 21 23 24 25 7 22 7 8 10 13 18 16 17 12 21 23 15 15 19 20 19 20 22 24 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 483 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CC19E063EC6F2481400A0033467440082882031222008D8203EEC980D26E2C4B19B86382AE6D019CAE807F0F0FF0EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]aniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]aniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]aniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [2-[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]phenyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H20N2O3/c1-26-22-13-18-20(14-23(22)27-2)25-12-11-21(18)28-16-9-7-15(8-10-16)17-5-3-4-6-19(17)24/h3-14H,24H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CRTJDBGNFUIAJC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)C4=CC=CC=C4N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)C4=CC=CC=C4N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.14739250 28 0 0 0 0 0 0 0 1 -1