4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline

C78H94F6N8O4 — CID 157360348

About 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline

4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline (PubChem CID 157360348) has the molecular formula C78H94F6N8O4 and a molecular weight of 1321.65 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline.

Molecular Properties

• Compound Name: 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline
• PubChem CID: 157360348
• Molecular Formula: C78H94F6N8O4
• Molecular Weight: 1321.65 g/mol
• Exact Mass: 1320.73
• IUPAC Name: 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline
• SMILES: COc1ccc(COC2CC(C)(C)Cc3nc(C4CCN(c5ncc(OC)cn5)CC4)c(C(F)c4ccc(C)cc4)c(C4CCC(F)(F)CC4)c32)cc1.Cc1ccc(C(F)c2c(C3CCN(c4ncc(C)cn4)CC3)nc3c(c2C2CCC(F)(F)CC2)C(O)CC(C)(C)C3)cc1
• InChI: InChI=1S/C43H51F3N4O3.C35H43F3N4O/c1-27-6-10-30(11-7-27)39(44)38-36(29-14-18-43(45,46)19-15-29)37-34(22-42(2,3)23-35(37)53-26-28-8-12-32(51-4)13-9-28)49-40(38)31-16-20-50(21-17-31)41-47-24-33(52-5)25-48-41;1-21-5-7-24(8-6-21)31(36)30-28(23-9-13-35(37,38)14-10-23)29-26(17-34(3,4)18-27(29)43)41-32(30)25-11-15-42(16-12-25)33-39-19-22(2)20-40-33/h6-13,24-25,29,31,35,39H,14-23,26H2,1-5H3;5-8,19-20,23,25,27,31,43H,9-18H2,1-4H3
• InChIKey: BIOKTPMBISEHAP-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 131.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1321.65
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline?

The IUPAC name of 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline (CID 157360348) is 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline.

What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline?

The canonical SMILES for 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline is COc1ccc(COC2CC(C)(C)Cc3nc(C4CCN(c5ncc(OC)cn5)CC4)c(C(F)c4ccc(C)cc4)c(C4CCC(F)(F)CC4)c32)cc1.Cc1ccc(C(F)c2c(C3CCN(c4ncc(C)cn4)CC3)nc3c(c2C2CCC(F)(F)CC2)C(O)CC(C)(C)C3)cc1.

What is the InChIKey of 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline?

The InChIKey is BIOKTPMBISEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51F3N4O3.C35H43F3N4O/c1-27-6-10-30(11-7-27)39(44)38-36(29-14-18-43(45,46)19-15-29)37-34(22-42(2,3)23-35(37)53-26-28-8-12-32(51-4)13-9-28)49-40(38)31-16-20-50(21-17-31)41-47-24-33(52-5)25-48-41;1-21-5-7-24(8-6-21)31(36)30-28(23-9-13-35(37,38)14-10-23)29-26(17-34(3,4)18-27(29)43)41-32(30)25-11-15-42(16-12-25)33-39-19-22(2)20-40-33/h6-13,24-25,29,31,35,39H,14-23,26H2,1-5H3;5-8,19-20,23,25,27,31,43H,9-18H2,1-4H3.

What are the key properties of 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline?

4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline has a molecular weight of 1321.65 g/mol, XLogP of 18.39, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-7,7-dimethyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol;4-(4,4-difluorocyclohexyl)-3-[fluoro-(4-methylphenyl)methyl]-5-[(4-methoxyphenyl)methoxy]-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline is sourced from PubChem (CID 157360348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).