7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline

C16H18F3N — CID 70966542

IUPAC7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline
SMILESCCC(C)(C)c1cc2c(C(F)(F)F)ccnc2cc1C
InChIInChI=1S/C16H18F3N/c1-5-15(3,4)13-9-11-12(16(17,18)19)6-7-20-14(11)8-10(13)2/h6-9H,5H2,1-4H3
InChIKeyMPFWINJPGUECAF-UHFFFAOYSA-N
MW281.32 g/mol
LogP5.25
Rot. Bonds2

About 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline

7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline (PubChem CID 70966542) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline
PubChem CID70966542
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline
SMILESCCC(C)(C)c1cc2c(C(F)(F)F)ccnc2cc1C
InChIInChI=1S/C16H18F3N/c1-5-15(3,4)13-9-11-12(16(17,18)19)6-7-20-14(11)8-10(13)2/h6-9H,5H2,1-4H3
InChIKeyMPFWINJPGUECAF-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.32
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline 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 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline?
The IUPAC name of 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline (CID 70966542) is 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline?
The canonical SMILES for 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline is CCC(C)(C)c1cc2c(C(F)(F)F)ccnc2cc1C.
What is the InChIKey of 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline?
The InChIKey is MPFWINJPGUECAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c1-5-15(3,4)13-9-11-12(16(17,18)19)6-7-20-14(11)8-10(13)2/h6-9H,5H2,1-4H3.
What are the key properties of 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline?
7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline has a molecular weight of 281.32 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(2-methylbutan-2-yl)-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 70966542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).