5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine

C15H19BrN2O — CID 55222432

IUPAC5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
SMILESCCNc1c(C)c(CC)nc2c(OC)ccc(Br)c12
InChIInChI=1S/C15H19BrN2O/c1-5-11-9(3)14(17-6-2)13-10(16)7-8-12(19-4)15(13)18-11/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyFFGFFRZHYARYSZ-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.31
Rot. Bonds4

About 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine

5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine (PubChem CID 55222432) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
PubChem CID55222432
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
SMILESCCNc1c(C)c(CC)nc2c(OC)ccc(Br)c12
InChIInChI=1S/C15H19BrN2O/c1-5-11-9(3)14(17-6-2)13-10(16)7-8-12(19-4)15(13)18-11/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeyFFGFFRZHYARYSZ-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N,2-diethyl-8-methoxy-3-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-8-methoxy-3-methylquinolin-4-amine?
The IUPAC name of 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine (CID 55222432) is 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine.
What is the SMILES notation for 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine?
The canonical SMILES for 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine is CCNc1c(C)c(CC)nc2c(OC)ccc(Br)c12.
What is the InChIKey of 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine?
The InChIKey is FFGFFRZHYARYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-5-11-9(3)14(17-6-2)13-10(16)7-8-12(19-4)15(13)18-11/h7-8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine?
5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine has a molecular weight of 323.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine is sourced from PubChem (CID 55222432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).