3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one

C16H22N2O — CID 84637243

IUPAC3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one
SMILESCc1cc(C)c2c(c1)cc(CC(C)(C)N)c(=O)n2C
InChIInChI=1S/C16H22N2O/c1-10-6-11(2)14-12(7-10)8-13(9-16(3,4)17)15(19)18(14)5/h6-8H,9,17H2,1-5H3
InChIKeyJNJSMWUFMBZBQQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.44
Rot. Bonds2

About 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one

3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one (PubChem CID 84637243) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one
PubChem CID84637243
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one
SMILESCc1cc(C)c2c(c1)cc(CC(C)(C)N)c(=O)n2C
InChIInChI=1S/C16H22N2O/c1-10-6-11(2)14-12(7-10)8-13(9-16(3,4)17)15(19)18(14)5/h6-8H,9,17H2,1-5H3
InChIKeyJNJSMWUFMBZBQQ-UHFFFAOYSA-N
XLogP2.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one 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 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one?
The IUPAC name of 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one (CID 84637243) is 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one is Cc1cc(C)c2c(c1)cc(CC(C)(C)N)c(=O)n2C.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one?
The InChIKey is JNJSMWUFMBZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-6-11(2)14-12(7-10)8-13(9-16(3,4)17)15(19)18(14)5/h6-8H,9,17H2,1-5H3.
What are the key properties of 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one?
3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-1,6,8-trimethylquinolin-2-one is sourced from PubChem (CID 84637243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).