5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine

C14H16BrFN2 — CID 107594027

IUPAC5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
SMILESCCNc1cc(CC)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C14H16BrFN2/c1-4-9-7-11(17-5-2)12-13(15)10(16)6-8(3)14(12)18-9/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyNCFZBGJKQIYVKO-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.44
Rot. Bonds3

About 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine

5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine (PubChem CID 107594027) has the molecular formula C14H16BrFN2 and a molecular weight of 311.20 g/mol. Its IUPAC name is 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
PubChem CID107594027
Molecular FormulaC14H16BrFN2
Molecular Weight311.20 g/mol
Exact Mass310.05
IUPAC Name5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
SMILESCCNc1cc(CC)nc2c(C)cc(F)c(Br)c12
InChIInChI=1S/C14H16BrFN2/c1-4-9-7-11(17-5-2)12-13(15)10(16)6-8(3)14(12)18-9/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyNCFZBGJKQIYVKO-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-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 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine?
The IUPAC name of 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine (CID 107594027) is 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine.
What is the SMILES notation for 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine?
The canonical SMILES for 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine is CCNc1cc(CC)nc2c(C)cc(F)c(Br)c12.
What is the InChIKey of 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine?
The InChIKey is NCFZBGJKQIYVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2/c1-4-9-7-11(17-5-2)12-13(15)10(16)6-8(3)14(12)18-9/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine?
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine has a molecular weight of 311.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine is sourced from PubChem (CID 107594027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).