5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine

C13H14Br2N2 — CID 63554447

IUPAC5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine
SMILESCCc1nc2c(Br)ccc(Br)c2c(NC)c1C
InChIInChI=1S/C13H14Br2N2/c1-4-10-7(2)12(16-3)11-8(14)5-6-9(15)13(11)17-10/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyWCVKTDGKOKKOPI-UHFFFAOYSA-N
MW358.08 g/mol
LogP4.67
Rot. Bonds2

About 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine

5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine (PubChem CID 63554447) has the molecular formula C13H14Br2N2 and a molecular weight of 358.08 g/mol. Its IUPAC name is 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine
PubChem CID63554447
Molecular FormulaC13H14Br2N2
Molecular Weight358.08 g/mol
Exact Mass355.95
IUPAC Name5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine
SMILESCCc1nc2c(Br)ccc(Br)c2c(NC)c1C
InChIInChI=1S/C13H14Br2N2/c1-4-10-7(2)12(16-3)11-8(14)5-6-9(15)13(11)17-10/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyWCVKTDGKOKKOPI-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.08
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,8-dibromo-2-ethyl-N,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

Related Compounds

5,8-dibromo-N,2,3-trimethylquinolin-4-amine
CID 63483840
8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine
CID 114260983
5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
CID 55222432
5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine
CID 63562056
5,8-dibromo-2,3-diethylquinoxaline
CID 68642538
2-ethyl-8-methoxy-N,3,5-trimethylquinolin-4-amine
CID 55221235
6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine
CID 63562058
5-bromo-3-ethyl-8-methoxy-N,2-dimethylquinolin-4-amine
CID 63483485
5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63482930
2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
CID 55221787
6,8-dibromo-3-ethyl-5-methoxy-N,2-dimethylquinolin-4-amine
CID 103416750
(5,8-diethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63555862

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine?
The IUPAC name of 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine (CID 63554447) is 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine.
What is the SMILES notation for 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine?
The canonical SMILES for 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine is CCc1nc2c(Br)ccc(Br)c2c(NC)c1C.
What is the InChIKey of 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine?
The InChIKey is WCVKTDGKOKKOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2/c1-4-10-7(2)12(16-3)11-8(14)5-6-9(15)13(11)17-10/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine?
5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine has a molecular weight of 358.08 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine is sourced from PubChem (CID 63554447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).