3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline

C17H17F6N — CID 162414555

IUPAC3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
SMILESCCCc1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2c1CCC
InChIInChI=1S/C17H17F6N/c1-3-5-11-12(6-4-2)15(17(21,22)23)24-14-8-7-10(9-13(11)14)16(18,19)20/h7-9H,3-6H2,1-2H3
InChIKeyLGXJPSHXZZWAIM-UHFFFAOYSA-N
MW349.32 g/mol
LogP6.18
Rot. Bonds4

About 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline

3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline (PubChem CID 162414555) has the molecular formula C17H17F6N and a molecular weight of 349.32 g/mol. Its IUPAC name is 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
PubChem CID162414555
Molecular FormulaC17H17F6N
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC Name3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
SMILESCCCc1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2c1CCC
InChIInChI=1S/C17H17F6N/c1-3-5-11-12(6-4-2)15(17(21,22)23)24-14-8-7-10(9-13(11)14)16(18,19)20/h7-9H,3-6H2,1-2H3
InChIKeyLGXJPSHXZZWAIM-UHFFFAOYSA-N
XLogP6.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.32
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-dipropyl-2,6-bis(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 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline?
The IUPAC name of 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline (CID 162414555) is 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline?
The canonical SMILES for 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline is CCCc1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2c1CCC.
What is the InChIKey of 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline?
The InChIKey is LGXJPSHXZZWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N/c1-3-5-11-12(6-4-2)15(17(21,22)23)24-14-8-7-10(9-13(11)14)16(18,19)20/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline?
3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline has a molecular weight of 349.32 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 162414555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).