4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline

C16H18F3N — CID 125452574

IUPAC4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
SMILESCCCc1c(C)nc2ccc(C(F)(F)F)cc2c1CC
InChIInChI=1S/C16H18F3N/c1-4-6-13-10(3)20-15-8-7-11(16(17,18)19)9-14(15)12(13)5-2/h7-9H,4-6H2,1-3H3
InChIKeyMXGGVDBHLXDYBZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP5.08
Rot. Bonds3

About 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline

4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline (PubChem CID 125452574) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
PubChem CID125452574
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
SMILESCCCc1c(C)nc2ccc(C(F)(F)F)cc2c1CC
InChIInChI=1S/C16H18F3N/c1-4-6-13-10(3)20-15-8-7-11(16(17,18)19)9-14(15)12(13)5-2/h7-9H,4-6H2,1-3H3
InChIKeyMXGGVDBHLXDYBZ-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline (CID 125452574) is 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline is CCCc1c(C)nc2ccc(C(F)(F)F)cc2c1CC.
What is the InChIKey of 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline?
The InChIKey is MXGGVDBHLXDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N/c1-4-6-13-10(3)20-15-8-7-11(16(17,18)19)9-14(15)12(13)5-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline?
4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline has a molecular weight of 281.32 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 125452574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).