2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol

C80H102F12N8O6Si — CID 159738940

About 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol

2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 159738940) has the molecular formula C80H102F12N8O6Si and a molecular weight of 1527.81 g/mol. Its IUPAC name is 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

• Compound Name: 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
• PubChem CID: 159738940
• Molecular Formula: C80H102F12N8O6Si
• Molecular Weight: 1527.81 g/mol
• Exact Mass: 1526.75
• IUPAC Name: 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
• SMILES: CC1(C)Cc2nc(C3CCN(c4ncc(OCCCO)cn4)CC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2C(O)C1.CC1(C)Cc2nc(C3CCN(c4ncc(OCCCO[Si](C)(C)C(C)(C)C)cn4)CC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2C(O)C1
• InChI: InChI=1S/C43H58F6N4O3Si.C37H44F6N4O3/c1-40(2,3)57(6,7)56-22-8-21-55-31-25-50-39(51-26-31)53-19-15-29(16-20-53)38-36(37(44)28-9-11-30(12-10-28)43(47,48)49)34(27-13-17-42(45,46)18-14-27)35-32(52-38)23-41(4,5)24-33(35)54;1-35(2)18-27-30(28(49)19-35)29(22-8-12-36(39,40)13-9-22)31(32(38)23-4-6-25(7-5-23)37(41,42)43)33(46-27)24-10-14-47(15-11-24)34-44-20-26(21-45-34)50-17-3-16-48/h9-12,25-27,29,33,37,54H,8,13-24H2,1-7H3;4-7,20-22,24,28,32,48-49H,3,8-19H2,1-2H3
• InChIKey: NCEVHVLYDHMRKU-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 172.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1527.81
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol?

The IUPAC name of 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol (CID 159738940) is 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol.

What is the SMILES notation for 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol?

The canonical SMILES for 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol is CC1(C)Cc2nc(C3CCN(c4ncc(OCCCO)cn4)CC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2C(O)C1.CC1(C)Cc2nc(C3CCN(c4ncc(OCCCO[Si](C)(C)C(C)(C)C)cn4)CC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2C(O)C1.

What is the InChIKey of 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol?

The InChIKey is NCEVHVLYDHMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58F6N4O3Si.C37H44F6N4O3/c1-40(2,3)57(6,7)56-22-8-21-55-31-25-50-39(51-26-31)53-19-15-29(16-20-53)38-36(37(44)28-9-11-30(12-10-28)43(47,48)49)34(27-13-17-42(45,46)18-14-27)35-32(52-38)23-41(4,5)24-33(35)54;1-35(2)18-27-30(28(49)19-35)29(22-8-12-36(39,40)13-9-22)31(32(38)23-4-6-25(7-5-23)37(41,42)43)33(46-27)24-10-14-47(15-11-24)34-44-20-26(21-45-34)50-17-3-16-48/h9-12,25-27,29,33,37,54H,8,13-24H2,1-7H3;4-7,20-22,24,28,32,48-49H,3,8-19H2,1-2H3.

What are the key properties of 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol?

2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 1527.81 g/mol, XLogP of 19.82, 20 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]pyrimidin-2-yl]piperidin-4-yl]-4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxypropoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 159738940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).