2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine

C14H17FN2 — CID 55221787

IUPAC2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
SMILESCCc1nc2c(F)cc(C)cc2c(NC)c1C
InChIInChI=1S/C14H17FN2/c1-5-12-9(3)13(16-4)10-6-8(2)7-11(15)14(10)17-12/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyTWDIPSDXWQEIJX-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.59
Rot. Bonds2

About 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine

2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine (PubChem CID 55221787) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
PubChem CID55221787
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
SMILESCCc1nc2c(F)cc(C)cc2c(NC)c1C
InChIInChI=1S/C14H17FN2/c1-5-12-9(3)13(16-4)10-6-8(2)7-11(15)14(10)17-12/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyTWDIPSDXWQEIJX-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine 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-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine?
The IUPAC name of 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine (CID 55221787) is 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine.
What is the SMILES notation for 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine?
The canonical SMILES for 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine is CCc1nc2c(F)cc(C)cc2c(NC)c1C.
What is the InChIKey of 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine?
The InChIKey is TWDIPSDXWQEIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-5-12-9(3)13(16-4)10-6-8(2)7-11(15)14(10)17-12/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine?
2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine has a molecular weight of 232.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine is sourced from PubChem (CID 55221787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).