1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one

C13H15NO3 — CID 59398402

IUPAC1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
SMILESCOc1ccc2c(C)cc(=O)n(CCO)c2c1
InChIInChI=1S/C13H15NO3/c1-9-7-13(16)14(5-6-15)12-8-10(17-2)3-4-11(9)12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyOYRRPQJEXQJPJL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds3

About 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one

1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one (PubChem CID 59398402) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
PubChem CID59398402
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one
SMILESCOc1ccc2c(C)cc(=O)n(CCO)c2c1
InChIInChI=1S/C13H15NO3/c1-9-7-13(16)14(5-6-15)12-8-10(17-2)3-4-11(9)12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyOYRRPQJEXQJPJL-UHFFFAOYSA-N
XLogP1.31
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-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 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one (CID 59398402) is 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one is COc1ccc2c(C)cc(=O)n(CCO)c2c1.
What is the InChIKey of 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one?
The InChIKey is OYRRPQJEXQJPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-7-13(16)14(5-6-15)12-8-10(17-2)3-4-11(9)12/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one?
1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-7-methoxy-4-methylquinolin-2-one is sourced from PubChem (CID 59398402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).