58387941 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 51 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 16 17 18 19 19 20 20 21 21 22 23 23 24 24 25 25 26 27 27 27 28 28 29 10 11 15 5 15 34 16 29 6 30 31 12 13 14 15 19 10 20 23 14 16 24 32 33 17 18 17 35 18 36 37 22 38 39 22 40 21 41 25 27 42 26 43 28 44 26 45 46 47 48 49 29 50 51 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 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 49 50 51 6.3301 11.5263 10.6603 15.0183 9.7942 8.9282 12.3923 4.5981 14.1244 5.4641 7.1962 8.9282 8.0622 13.2583 11.5263 14.1244 8.0622 7.1962 12.3923 3.732 2.866 13.2583 4.5981 15.0183 2.866 3.732 2 15.9244 15.9244 10.1928 9.3957 5.8626 5.0656 10.6603 9.4651 8.0622 13.2583 8.0622 6.6592 11.8554 3.732 13.2583 5.135 15.0111 2.3291 3.732 2.31 1.4631 1.69 16.4601 16.4601 -0.75 2.25 0.75 -0.7847 1.25 0.75 0.75 -0.75 0.75 -0.25 -0.25 -0.25 1.25 1.25 1.25 -0.25 -0.75 0.75 -0.25 -0.25 -0.75 -0.75 -1.75 1.2847 -1.75 -2.25 -0.25 0.7708 -0.2708 1.725 1.725 0.2249 0.2249 0.13 -0.56 1.87 1.87 -1.37 1.06 -0.56 0.37 -1.37 -2.06 1.9046 -2.06 -2.87 0.2869 0.06 -0.7869 1.0829 -0.5829 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 7 7 8 8 9 9 9 11 11 12 13 16 19 20 21 23 24 25 28 16 29 12 13 14 19 20 23 14 16 24 17 18 17 18 22 22 21 25 26 28 26 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 517 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CE19E063EC6F2C81400A8033577540082882035222008D8A13E6CD80C26F2C4B59B863928E4C611C8E98798D9E29E28000200000200005000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[4-(m-tolylmethoxy)phenyl]methyl]quinoline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-6-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]quinoline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]quinoline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]quinoline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(3-methylbenzyl)oxybenzyl]quinoline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H22N2O2/c1-18-4-2-5-20(14-18)17-29-23-10-7-19(8-11-23)16-27-25(28)22-9-12-24-21(15-22)6-3-13-26-24/h2-15H,16-17H2,1H3,(H,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AJQZHQOHZONLOY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.168127949 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H22N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)N=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)N=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 382.168127949 29 0 0 0 0 0 0 0 1 -1