70292601 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 8 8 7 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 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 14 15 15 16 17 17 18 18 19 21 21 21 22 22 22 19 21 20 22 14 16 5 6 7 23 8 24 25 9 26 27 11 12 28 10 29 30 10 31 32 33 34 13 14 35 36 37 15 38 39 16 17 18 19 40 20 41 20 42 43 44 45 46 47 1 1 1 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 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 7 4 11 12 28 3 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 2 2 5.492 8.1301 8.134 8.9942 7.2622 9.0019 9.8622 9.866 6.3981 7.2583 5.492 6.3981 4.5981 4.5981 3.732 3.732 2.866 2.866 2 2 8.1277 7.523 7.9242 9.3909 8.5939 6.724 8.6052 9.4023 10.4732 10.072 10.0803 10.4762 7.8783 7.2559 6.6383 5.4848 6.9338 3.732 3.732 2.62 2 1.38 1.38 2 2.62 0.9879 -1.0121 -1.0467 0.5154 -0.4846 1.0188 1.0121 -0.9812 0.5221 -0.4779 0.5087 2.0121 1.0226 -0.5329 0.4879 -0.5121 0.9879 -1.0121 0.4879 -0.5121 1.9879 -2.0121 1.1354 -0.3793 -1.068 1.4952 1.4922 1.32 -1.4577 -1.4546 0.4168 1.1055 -1.0597 -0.3679 2.0145 2.6321 2.0097 1.6426 -0.845 1.6079 -1.6321 1.9879 2.6079 1.9879 -2.0121 -2.6321 -2.0121 8 8 3 8 8 8 8 8 8 8 8 8 3 3 7 11 11 13 15 15 16 17 18 19 14 16 12 13 14 15 16 17 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 342 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A30000000000000000000000000000000000000003C6080000000000000B1F000001E00000000000D0CC19E063EC6F2081400A0033467440082882031222000D8203EEC980D26E2C4B19B84302A66C019CAE807B0D0F30EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohexylethyl)-6,7-dimethoxy-quinoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohexylethyl)-6,7-dimethoxyquinoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohexylethyl)-6,7-dimethoxyquinoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohexylethyl)-6,7-dimethoxyquinoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohexylethyl)-6,7-dimethoxy-quinoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohexylethyl)-6,7-dimethoxy-quinoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H25NO2/c1-13(14-7-5-4-6-8-14)16-9-15-10-18(21-2)19(22-3)11-17(15)20-12-16/h9-14H,4-8H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WGBIWJVHSADBQF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.188529040 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H25NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1CCCCC1)C2=CN=C3C=C(C(=CC3=C2)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1CCCCC1)C2=CN=C3C=C(C(=CC3=C2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 31.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.188529040 22 1 0 1 0 0 0 0 1 -1