59192204 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 52 53 54 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 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 1 1 2 3 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 14 15 15 16 16 17 18 19 19 19 21 22 23 23 24 25 25 26 26 27 28 28 29 29 30 7 11 20 10 20 45 22 30 6 7 31 32 8 33 34 35 36 15 16 10 12 13 37 38 17 18 17 39 18 40 20 21 23 25 41 26 42 43 44 21 22 28 46 24 24 47 48 27 49 27 50 51 29 52 30 53 54 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 2 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 47 48 49 50 51 52 53 54 7.1962 12.3923 11.5263 15.8843 5.4641 4.5981 6.3301 3.732 9.7942 10.6603 8.0622 9.7942 8.9282 13.2583 3.732 2.866 8.9282 8.0622 14.9904 12.3923 14.1244 14.9904 13.2583 14.1244 2.866 2 2 15.8843 16.7904 16.7904 5.0656 5.8626 4.9966 4.1996 6.7287 5.9316 11.0588 10.2617 10.3312 8.9282 4.269 2.866 8.9282 7.5252 11.5263 14.1244 12.7214 14.1244 2.866 1.4631 1.4631 15.8772 17.3261 17.3261 -0.75 2.25 0.75 -0.7847 -0.75 -0.25 -0.25 -0.75 0.75 1.25 -0.25 -0.25 1.25 0.75 -1.75 -0.25 -0.75 0.75 0.75 1.25 1.25 -0.25 -0.25 -0.75 -2.25 -0.75 -1.75 1.2847 0.7708 -0.2708 -1.225 -1.225 0.2249 0.2249 0.2249 0.2249 1.725 1.725 -0.56 1.87 -2.06 0.37 -1.37 1.06 0.13 1.87 -0.56 -1.37 -2.87 -0.44 -2.06 1.9046 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 8 8 9 9 11 11 12 13 14 14 15 16 19 19 19 22 23 25 26 28 29 22 30 15 16 12 13 17 18 17 18 21 23 25 26 21 22 28 24 24 27 27 29 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 511 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 8 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-(3-phenylpropoxy)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-phenylpropoxy)phenyl]methyl]-6-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[[4-(3-phenylpropoxy)phenyl]methyl]quinoline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[4-(3-phenylpropoxy)phenyl]methyl]quinoline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[4-(3-phenylpropoxy)phenyl]methyl]quinoline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(3-phenylpropoxy)benzyl]quinoline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H24N2O2/c29-26(23-12-15-25-22(18-23)9-4-16-27-25)28-19-21-10-13-24(14-11-21)30-17-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-16,18H,5,8,17,19H2,(H,28,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YDILRVLGOVINNK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 396.183778013 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H24N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 396.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CCCOC2=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)CCCOC2=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 2021.10.14 396.183778013 30 0 0 0 0 0 0 0 1 -1