75043910 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 55 56 57 58 59 60 61 62 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 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 9 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 25 25 26 27 28 28 29 30 22 61 29 62 8 10 13 24 27 6 7 9 31 8 11 32 10 33 34 35 36 12 37 38 39 40 14 41 42 15 43 44 16 45 46 47 48 49 17 50 51 18 19 20 21 22 52 23 53 24 25 27 54 26 26 55 28 29 56 57 58 30 59 30 60 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 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 5 6 7 9 31 3 1 6 5 8 11 32 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 54 55 56 57 58 59 60 61 62 12.004 2.5369 9.4466 6.029 7.7262 7.7146 8.598 8.5748 6.866 9.4581 6.8429 6.8776 10.3068 6.8313 6.0174 10.2952 6.029 11.1554 9.4234 5.135 6.935 11.1438 9.4119 5.135 4.269 10.2721 6.935 4.269 3.403 3.403 7.7334 7.7075 8.2049 9.0019 8.9678 8.1708 6.6472 6.2567 9.6769 10.0674 6.2311 6.6376 7.0964 7.4869 10.5255 10.9161 7.4513 6.8242 6.2114 5.7986 5.4081 11.6959 8.8901 7.4708 8.8714 4.269 10.2649 7.4708 4.269 2.866 11.9968 2 4.5095 -3.0948 0.9797 -5.1294 -0.0403 0.9596 -0.5302 1.4696 -0.5503 -0.0203 1.4496 -1.5502 1.4896 2.4495 -2.0602 2.4896 -3.0601 2.9996 2.9795 -3.5948 -3.574 3.9995 3.9795 -4.5948 -3.0948 4.4894 -4.6156 -5.0948 -3.5948 -4.5948 -0.6602 1.5796 -1.0098 -1.0006 1.9492 1.9399 0.0298 -0.665 -0.6004 0.0945 1.5502 0.8646 -2.1303 -1.4355 0.9095 1.6044 2.4567 3.0695 2.4424 -1.4801 -2.1749 2.6958 2.6634 -3.2619 4.2832 -2.4748 5.1094 -4.9277 -5.7148 -4.9048 5.1294 -3.4048 8 8 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 16 16 17 17 18 19 20 20 21 22 23 24 25 28 29 24 27 9 11 18 19 20 21 22 23 24 25 27 26 26 28 29 30 30 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 515 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07B30000000000000000000000000000000000000003C7881000000000000B1F400001E00000800000D0CC19E043EC6F3081200A0033467440082802031222008D8203E6C980826E2C2919384700864C011C8D807B0C0F00E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-[3-ethyl-1-[(3-hydroxyphenyl)methyl]-4-piperidyl]propyl]quinolin-6-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-[3-ethyl-1-[(3-hydroxyphenyl)methyl]-4-piperidinyl]propyl]-6-quinolinol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-[3-ethyl-1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]propyl]quinolin-6-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-[3-ethyl-1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]propyl]quinolin-6-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-[3-ethyl-1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]propyl]quinolin-6-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-[3-ethyl-1-(3-hydroxybenzyl)-4-piperidyl]propyl]quinolin-6-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H32N2O2/c1-2-20-18-28(17-19-5-3-8-23(29)15-19)14-12-21(20)6-4-7-22-11-13-27-26-10-9-24(30)16-25(22)26/h3,5,8-11,13,15-16,20-21,29-30H,2,4,6-7,12,14,17-18H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FOCGZQUDLYRRTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 404.246378268 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H32N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 404.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1CN(CCC1CCCC2=C3C=C(C=CC3=NC=C2)O)CC4=CC(=CC=C4)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1CN(CCC1CCCC2=C3C=C(C=CC3=NC=C2)O)CC4=CC(=CC=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 404.246378268 30 2 0 2 0 0 0 0 1 -1