[6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol

C18H15F3N2O — CID 572606

IUPAC[6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
SMILESCc1cc(C)c2nc(C(F)(F)F)cc(C(O)c3ccccn3)c2c1
InChIInChI=1S/C18H15F3N2O/c1-10-7-11(2)16-12(8-10)13(9-15(23-16)18(19,20)21)17(24)14-5-3-4-6-22-14/h3-9,17,24H,1-2H3
InChIKeyGGMCPBYNDWASLH-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.35
Rot. Bonds2

About [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol

[6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol (PubChem CID 572606) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
PubChem CID572606
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name[6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
SMILESCc1cc(C)c2nc(C(F)(F)F)cc(C(O)c3ccccn3)c2c1
InChIInChI=1S/C18H15F3N2O/c1-10-7-11(2)16-12(8-10)13(9-15(23-16)18(19,20)21)17(24)14-5-3-4-6-22-14/h3-9,17,24H,1-2H3
InChIKeyGGMCPBYNDWASLH-UHFFFAOYSA-N
XLogP4.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol (CID 572606) is [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol is Cc1cc(C)c2nc(C(F)(F)F)cc(C(O)c3ccccn3)c2c1.
What is the InChIKey of [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is GGMCPBYNDWASLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-10-7-11(2)16-12(8-10)13(9-15(23-16)18(19,20)21)17(24)14-5-3-4-6-22-14/h3-9,17,24H,1-2H3.
What are the key properties of [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
[6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 332.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 572606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).