8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one

C15H17NO3 — CID 46302487

IUPAC8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
SMILESCOc1cccc2c(C)cc(=O)n(C(C)C(C)=O)c12
InChIInChI=1S/C15H17NO3/c1-9-8-14(18)16(10(2)11(3)17)15-12(9)6-5-7-13(15)19-4/h5-8,10H,1-4H3
InChIKeyPKIMXJNYIJLGSO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.47
Rot. Bonds3

About 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one

8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one (PubChem CID 46302487) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one.

Molecular Properties

Compound Name8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
PubChem CID46302487
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
SMILESCOc1cccc2c(C)cc(=O)n(C(C)C(C)=O)c12
InChIInChI=1S/C15H17NO3/c1-9-8-14(18)16(10(2)11(3)17)15-12(9)6-5-7-13(15)19-4/h5-8,10H,1-4H3
InChIKeyPKIMXJNYIJLGSO-UHFFFAOYSA-N
XLogP2.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-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 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one?
The IUPAC name of 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one (CID 46302487) is 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one.
What is the SMILES notation for 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one?
The canonical SMILES for 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one is COc1cccc2c(C)cc(=O)n(C(C)C(C)=O)c12.
What is the InChIKey of 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one?
The InChIKey is PKIMXJNYIJLGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-8-14(18)16(10(2)11(3)17)15-12(9)6-5-7-13(15)19-4/h5-8,10H,1-4H3.
What are the key properties of 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one?
8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one is sourced from PubChem (CID 46302487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).