2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol

C16H19F3N2O2 — CID 71830072

IUPAC2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol
SMILESCCC(C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C16H19F3N2O2/c1-4-15(3,22)9-20-12-8-10(2)21-14-11(12)6-5-7-13(14)23-16(17,18)19/h5-8,22H,4,9H2,1-3H3,(H,20,21)
InChIKeyKBBNKKWQDFBKLT-UHFFFAOYSA-N
MW328.33 g/mol
LogP4.01
Rot. Bonds5

About 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol

2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol (PubChem CID 71830072) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol
PubChem CID71830072
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol
SMILESCCC(C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C16H19F3N2O2/c1-4-15(3,22)9-20-12-8-10(2)21-14-11(12)6-5-7-13(14)23-16(17,18)19/h5-8,22H,4,9H2,1-3H3,(H,20,21)
InChIKeyKBBNKKWQDFBKLT-UHFFFAOYSA-N
XLogP4.01
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol (CID 71830072) is 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol is CCC(C)(O)CNc1cc(C)nc2c(OC(F)(F)F)cccc12.
What is the InChIKey of 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol?
The InChIKey is KBBNKKWQDFBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-4-15(3,22)9-20-12-8-10(2)21-14-11(12)6-5-7-13(14)23-16(17,18)19/h5-8,22H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol?
2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol has a molecular weight of 328.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-methyl-8-(trifluoromethoxy)quinolin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 71830072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).