3-acetyl-6-methyl-1H-quinolin-4-one

C12H11NO2 — CID 3243839

IUPAC3-acetyl-6-methyl-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C12H11NO2/c1-7-3-4-11-9(5-7)12(15)10(6-13-11)8(2)14/h3-6H,1-2H3,(H,13,15)
InChIKeyHEUUNOJLQNBBHX-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.04
Rot. Bonds1

About 3-acetyl-6-methyl-1H-quinolin-4-one

3-acetyl-6-methyl-1H-quinolin-4-one (PubChem CID 3243839) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-1H-quinolin-4-one
PubChem CID3243839
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-acetyl-6-methyl-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C12H11NO2/c1-7-3-4-11-9(5-7)12(15)10(6-13-11)8(2)14/h3-6H,1-2H3,(H,13,15)
InChIKeyHEUUNOJLQNBBHX-UHFFFAOYSA-N
XLogP2.04
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-6-methyl-1H-quinolin-4-one (CID 3243839) is 3-acetyl-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-6-methyl-1H-quinolin-4-one is CC(=O)c1c[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of 3-acetyl-6-methyl-1H-quinolin-4-one?
The InChIKey is HEUUNOJLQNBBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-3-4-11-9(5-7)12(15)10(6-13-11)8(2)14/h3-6H,1-2H3,(H,13,15).
What are the key properties of 3-acetyl-6-methyl-1H-quinolin-4-one?
3-acetyl-6-methyl-1H-quinolin-4-one has a molecular weight of 201.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 3243839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).