2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol

C24H26F4N2O2 — CID 162554984

About 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol

2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol (PubChem CID 162554984) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol.

Molecular Properties

• Compound Name: 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol
• PubChem CID: 162554984
• Molecular Formula: C24H26F4N2O2
• Molecular Weight: 450.48 g/mol
• Exact Mass: 450.19
• IUPAC Name: 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol
• SMILES: Cc1ccc2c(NC(c3ccc(F)c(O)c3)C(O)(CCC(C)C)C(F)(F)F)cccc2n1
• InChI: InChI=1S/C24H26F4N2O2/c1-14(2)11-12-23(32,24(26,27)28)22(16-8-10-18(25)21(31)13-16)30-20-6-4-5-19-17(20)9-7-15(3)29-19/h4-10,13-14,22,30-32H,11-12H2,1-3H3
• InChIKey: YYYODNLGCKQMND-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 65.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol?

The IUPAC name of 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol (CID 162554984) is 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol.

What is the SMILES notation for 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol?

The canonical SMILES for 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol is Cc1ccc2c(NC(c3ccc(F)c(O)c3)C(O)(CCC(C)C)C(F)(F)F)cccc2n1.

What is the InChIKey of 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol?

The InChIKey is YYYODNLGCKQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-14(2)11-12-23(32,24(26,27)28)22(16-8-10-18(25)21(31)13-16)30-20-6-4-5-19-17(20)9-7-15(3)29-19/h4-10,13-14,22,30-32H,11-12H2,1-3H3.

What are the key properties of 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol?

2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol has a molecular weight of 450.48 g/mol, XLogP of 6.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[2-hydroxy-5-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)hexyl]phenol is sourced from PubChem (CID 162554984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).