5-(2-ethylbutoxy)-2-methylquinolin-4-amine

C16H22N2O — CID 58460399

IUPAC5-(2-ethylbutoxy)-2-methylquinolin-4-amine
SMILESCCC(CC)COc1cccc2nc(C)cc(N)c12
InChIInChI=1S/C16H22N2O/c1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14/h6-9,12H,4-5,10H2,1-3H3,(H2,17,18)
InChIKeyCJRWYIKCICTEGT-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.94
Rot. Bonds5

About 5-(2-ethylbutoxy)-2-methylquinolin-4-amine

5-(2-ethylbutoxy)-2-methylquinolin-4-amine (PubChem CID 58460399) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-(2-ethylbutoxy)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name5-(2-ethylbutoxy)-2-methylquinolin-4-amine
PubChem CID58460399
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-(2-ethylbutoxy)-2-methylquinolin-4-amine
SMILESCCC(CC)COc1cccc2nc(C)cc(N)c12
InChIInChI=1S/C16H22N2O/c1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14/h6-9,12H,4-5,10H2,1-3H3,(H2,17,18)
InChIKeyCJRWYIKCICTEGT-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-ethylbutoxy)-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 5-(2-ethylbutoxy)-2-methylquinolin-4-amine?
The IUPAC name of 5-(2-ethylbutoxy)-2-methylquinolin-4-amine (CID 58460399) is 5-(2-ethylbutoxy)-2-methylquinolin-4-amine.
What is the SMILES notation for 5-(2-ethylbutoxy)-2-methylquinolin-4-amine?
The canonical SMILES for 5-(2-ethylbutoxy)-2-methylquinolin-4-amine is CCC(CC)COc1cccc2nc(C)cc(N)c12.
What is the InChIKey of 5-(2-ethylbutoxy)-2-methylquinolin-4-amine?
The InChIKey is CJRWYIKCICTEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14/h6-9,12H,4-5,10H2,1-3H3,(H2,17,18).
What are the key properties of 5-(2-ethylbutoxy)-2-methylquinolin-4-amine?
5-(2-ethylbutoxy)-2-methylquinolin-4-amine has a molecular weight of 258.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutoxy)-2-methylquinolin-4-amine is sourced from PubChem (CID 58460399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).