71542 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 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 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 2 3 3 3 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 15 16 16 17 17 18 19 19 20 21 21 22 23 24 24 24 25 25 25 13 43 22 24 7 9 11 18 20 6 8 10 26 9 12 27 8 13 28 29 30 31 32 11 33 34 35 36 15 37 38 14 39 16 17 40 41 42 18 19 20 44 21 22 45 46 23 47 23 48 25 49 50 51 52 53 1 1 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 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 5 6 8 10 26 3 1 6 5 9 12 27 3 1 7 3 8 13 28 3 1 13 1 7 14 39 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 48 49 50 51 52 53 6.3961 3.732 8.603 7.2622 9.103 7.0367 8.1282 9.0941 7.1239 10.3226 9.8226 6.0519 7.2622 7.2622 5.4091 6.3961 8.1282 6.3961 5.5022 8.1282 5.5022 4.5961 4.5961 2.8641 2 8.929 7.0778 8.6605 8.9852 9.7115 7.2018 6.5074 10.6632 10.8503 10.3503 9.482 5.515 6.2639 6.7252 5.8841 5.0106 4.9342 5.8592 8.6651 5.5094 8.6651 5.5094 4.0604 2.4637 3.2608 2.3121 1.4643 1.6879 0.3376 -1.1382 2.3435 -3.1624 1.4774 1.5638 0.3376 0.0788 2.56 2.331 3.197 1.3902 -0.1624 -1.1624 2.1563 -1.6624 -1.6624 -2.6624 -1.1277 -2.6624 -3.197 -1.6415 -2.6832 -1.6349 -1.1315 2.0725 0.9452 0.6555 -0.5315 0.0222 3.1751 2.626 1.8129 2.6564 3.5225 3.7151 1.0802 0.8076 -0.4724 2.5548 2.6313 1.7578 0.0277 -1.3524 -0.5077 -2.9724 -3.817 -2.9952 -2.1083 -2.1113 -0.5958 -0.8195 -1.6673 8 8 3 3 3 3 8 8 8 8 8 8 8 8 8 4 4 5 6 7 13 14 14 16 16 17 18 19 21 22 18 20 10 12 8 1 16 17 18 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 446 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C58B1620000000000B1F000001E00000800000D3CE19E063EC6F3081600A0033467440082882031222008D8203E6C980E36E2C4B19B867828E4C011D8F807B0E0FC0E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-ethoxy-4-quinolyl)-(5-ethylquinuclidin-2-yl)methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-ethoxy-4-quinolinyl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-ethoxy-4-quinolyl)-(5-ethylquinuclidin-2-yl)methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SUWZHLCNFQWNPE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.215078140 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H28N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 45.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.215078140 25 4 0 4 0 0 0 0 1 -1