58387946 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 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 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 10 12 12 13 13 14 14 15 15 16 17 18 19 19 19 20 20 21 21 22 22 23 23 24 24 25 26 26 27 27 28 14 19 11 5 11 31 10 25 6 29 30 12 13 9 11 15 9 10 21 32 18 16 33 17 34 16 17 18 35 36 37 38 20 39 40 23 24 22 41 25 42 26 43 27 44 45 28 46 28 47 48 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 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 47 48 5.4641 10.6603 9.7942 14.1523 8.9282 8.0622 11.5263 13.2583 12.3923 13.2583 10.6603 8.0622 7.1962 6.3301 11.5263 7.1962 6.3301 12.3923 4.5981 3.732 14.1523 15.0583 2.866 3.732 15.0583 2 2.866 2 9.3267 8.5297 9.7942 12.3923 8.5991 7.1962 10.9893 7.1962 5.7932 12.3923 4.9966 4.1996 14.1451 15.5941 2.866 4.269 15.5941 1.4631 2.866 1.4631 -0.75 2.25 0.75 -0.7847 1.25 0.75 0.75 0.75 1.25 -0.25 1.25 -0.25 1.25 -0.25 -0.25 -0.75 0.75 -0.75 -0.25 -0.75 1.2847 0.7708 -0.25 -1.75 -0.2708 -0.75 -2.25 -1.75 1.725 1.725 0.13 1.87 -0.56 1.87 -0.56 -1.37 1.06 -1.37 0.2249 0.2249 1.9046 1.0829 0.37 -2.06 -0.5829 -0.44 -2.87 -2.06 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 8 10 12 13 14 14 15 20 20 21 22 23 24 26 27 10 25 12 13 9 15 9 10 21 18 16 17 16 17 18 23 24 22 25 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 483 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 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CE19E063CC6F2C81400A8033577540082882035222008D8A13E6CD80C26F2C4B59B863928E4C611C8E98798D9E29E28000200000200005000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-benzyloxyphenyl)methyl]quinoline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-phenylmethoxyphenyl)methyl]-6-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-benzoxybenzyl)quinoline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H20N2O2/c27-24(21-10-13-23-20(15-21)7-4-14-25-23)26-16-18-8-11-22(12-9-18)28-17-19-5-2-1-3-6-19/h1-15H,16-17H2,(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SXRTYKXADHSQKV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.152477885 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H20N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=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 C1=CC=C(C=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 2021.10.14 368.152477885 28 0 0 0 0 0 0 0 1 -1