2-methoxy-1-(4-methylquinolin-2-yl)ethanone

C13H13NO2 — CID 114754716

IUPAC2-methoxy-1-(4-methylquinolin-2-yl)ethanone
SMILESCOCC(=O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C13H13NO2/c1-9-7-12(13(15)8-16-2)14-11-6-4-3-5-10(9)11/h3-7H,8H2,1-2H3
InChIKeyXERXYULPTALOTM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.37
Rot. Bonds3

About 2-methoxy-1-(4-methylquinolin-2-yl)ethanone

2-methoxy-1-(4-methylquinolin-2-yl)ethanone (PubChem CID 114754716) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methylquinolin-2-yl)ethanone
PubChem CID114754716
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-methoxy-1-(4-methylquinolin-2-yl)ethanone
SMILESCOCC(=O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C13H13NO2/c1-9-7-12(13(15)8-16-2)14-11-6-4-3-5-10(9)11/h3-7H,8H2,1-2H3
InChIKeyXERXYULPTALOTM-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-(4-methylquinolin-2-yl)ethanone 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 2-methoxy-1-(4-methylquinolin-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methylquinolin-2-yl)ethanone (CID 114754716) is 2-methoxy-1-(4-methylquinolin-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methylquinolin-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methylquinolin-2-yl)ethanone is COCC(=O)c1cc(C)c2ccccc2n1.
What is the InChIKey of 2-methoxy-1-(4-methylquinolin-2-yl)ethanone?
The InChIKey is XERXYULPTALOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-7-12(13(15)8-16-2)14-11-6-4-3-5-10(9)11/h3-7H,8H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylquinolin-2-yl)ethanone?
2-methoxy-1-(4-methylquinolin-2-yl)ethanone has a molecular weight of 215.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylquinolin-2-yl)ethanone is sourced from PubChem (CID 114754716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).