6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine

C13H14BrFN2 — CID 103997014

IUPAC6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(F)c(Br)cc2cc1C
InChIInChI=1S/C13H14BrFN2/c1-3-4-16-13-8(2)5-9-6-10(14)11(15)7-12(9)17-13/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyIIPBZHDRJVUGPH-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.27
Rot. Bonds3

About 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine

6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine (PubChem CID 103997014) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
PubChem CID103997014
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2cc(F)c(Br)cc2cc1C
InChIInChI=1S/C13H14BrFN2/c1-3-4-16-13-8(2)5-9-6-10(14)11(15)7-12(9)17-13/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyIIPBZHDRJVUGPH-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-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 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine?
The IUPAC name of 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine (CID 103997014) is 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine.
What is the SMILES notation for 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine?
The canonical SMILES for 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine is CCCNc1nc2cc(F)c(Br)cc2cc1C.
What is the InChIKey of 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine?
The InChIKey is IIPBZHDRJVUGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c1-3-4-16-13-8(2)5-9-6-10(14)11(15)7-12(9)17-13/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine?
6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine is sourced from PubChem (CID 103997014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).