2753 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 8 7 7 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 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 14 15 15 15 16 16 17 17 18 18 18 19 20 21 21 22 23 23 24 24 12 16 17 25 6 12 13 20 25 50 7 8 26 9 27 28 10 29 30 11 31 32 11 33 34 35 36 14 37 38 39 15 40 41 16 42 43 44 45 19 21 19 20 23 46 22 22 47 48 24 49 25 51 2 1 1 2 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 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 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 5.4679 8.9282 14.1903 4.5961 12.4583 3.732 3.7359 2.8641 2.8718 2 2.0038 5.4641 4.5923 6.3282 7.1961 8.0602 9.7922 11.5923 10.6983 11.5923 9.7922 10.6983 12.4583 13.3243 13.3243 3.7296 4.346 3.9502 2.4637 3.2608 3.2722 2.4751 1.3898 1.7857 1.794 1.3929 3.9723 4.5899 5.2123 5.9278 6.7249 7.5965 6.7994 7.6598 8.4569 10.7055 9.2565 10.7055 12.4583 12.4583 13.8612 1.5737 0.5604 -1.4638 0.0771 -1.4638 0.5804 1.5804 0.0838 2.0838 0.5871 1.5871 0.5738 -0.9229 0.0704 0.5671 0.0637 0.0571 0.0362 0.5709 -0.9638 -0.9846 -1.4984 0.5362 0.0362 -0.9638 -0.0396 1.4704 2.1622 -0.3896 -0.3927 2.5572 2.5602 0.6971 0.0053 2.1705 1.4818 -0.9205 -1.5429 -0.9253 -0.403 -0.4061 1.0405 1.0436 -0.4097 -0.4127 1.1909 -1.2966 -2.1184 1.1562 -2.0838 0.3462 8 8 8 8 8 8 8 8 8 8 8 5 5 17 17 18 18 18 20 21 23 24 20 25 19 21 19 20 23 22 22 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 499 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 00000371E07B3000000000000000000000000000000000000000306080000000000000810000001E00100000000C2CE1980632C683C004008802255250008208002122000888010E6CC80C2632C4B19B863828E4D611C8E987B2C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cyclohexyl-<I>N</I>-methyl-4-[(2-oxo-1<I>H</I>-quinolin-6-yl)oxy]butanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-N-methyl-4-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]butanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-4-[(2-keto-1H-quinolin-6-yl)oxy]-N-methyl-butyramide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UIAYVIIHMORPSJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.19434270 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H26N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.19434270 25 0 0 0 0 0 0 0 1 -1