6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine

C13H15BrN2 — CID 81289001

IUPAC6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
SMILESCCc1cc(Br)cc2c(N)c(C)c(C)nc12
InChIInChI=1S/C13H15BrN2/c1-4-9-5-10(14)6-11-12(15)7(2)8(3)16-13(9)11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyKOYSWADCNHRYCG-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine

6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine (PubChem CID 81289001) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
PubChem CID81289001
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine
SMILESCCc1cc(Br)cc2c(N)c(C)c(C)nc12
InChIInChI=1S/C13H15BrN2/c1-4-9-5-10(14)6-11-12(15)7(2)8(3)16-13(9)11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyKOYSWADCNHRYCG-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-8-ethyl-2,3-dimethylquinolin-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 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
The IUPAC name of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine (CID 81289001) is 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
The canonical SMILES for 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine is CCc1cc(Br)cc2c(N)c(C)c(C)nc12.
What is the InChIKey of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
The InChIKey is KOYSWADCNHRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-4-9-5-10(14)6-11-12(15)7(2)8(3)16-13(9)11/h5-6H,4H2,1-3H3,(H2,15,16).
What are the key properties of 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine?
6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine has a molecular weight of 279.18 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 81289001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).