8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine

C12H12BrFN2 — CID 107628929

IUPAC8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
SMILESCCNc1cc(C)nc2c(Br)ccc(F)c12
InChIInChI=1S/C12H12BrFN2/c1-3-15-10-6-7(2)16-12-8(13)4-5-9(14)11(10)12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyULDGQAVLLYHUOX-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.88
Rot. Bonds2

About 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine

8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine (PubChem CID 107628929) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
PubChem CID107628929
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
SMILESCCNc1cc(C)nc2c(Br)ccc(F)c12
InChIInChI=1S/C12H12BrFN2/c1-3-15-10-6-7(2)16-12-8(13)4-5-9(14)11(10)12/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyULDGQAVLLYHUOX-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-N-ethyl-5-fluoro-2-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 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine?
The IUPAC name of 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine (CID 107628929) is 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine is CCNc1cc(C)nc2c(Br)ccc(F)c12.
What is the InChIKey of 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine?
The InChIKey is ULDGQAVLLYHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-3-15-10-6-7(2)16-12-8(13)4-5-9(14)11(10)12/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine?
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine has a molecular weight of 283.14 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 107628929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).