2-acetyl-7-methylquinolizin-4-one

C12H11NO2 — CID 21364098

IUPAC2-acetyl-7-methylquinolizin-4-one
SMILESCC(=O)c1cc(=O)n2cc(C)ccc2c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-11-5-10(9(2)14)6-12(15)13(11)7-8/h3-7H,1-2H3
InChIKeyHOWSJLFPEZZVTO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.81
Rot. Bonds1

About 2-acetyl-7-methylquinolizin-4-one

2-acetyl-7-methylquinolizin-4-one (PubChem CID 21364098) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-acetyl-7-methylquinolizin-4-one.

Molecular Properties

Compound Name2-acetyl-7-methylquinolizin-4-one
PubChem CID21364098
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-acetyl-7-methylquinolizin-4-one
SMILESCC(=O)c1cc(=O)n2cc(C)ccc2c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-11-5-10(9(2)14)6-12(15)13(11)7-8/h3-7H,1-2H3
InChIKeyHOWSJLFPEZZVTO-UHFFFAOYSA-N
XLogP1.81
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-methylquinolizin-4-one?
The IUPAC name of 2-acetyl-7-methylquinolizin-4-one (CID 21364098) is 2-acetyl-7-methylquinolizin-4-one.
What is the SMILES notation for 2-acetyl-7-methylquinolizin-4-one?
The canonical SMILES for 2-acetyl-7-methylquinolizin-4-one is CC(=O)c1cc(=O)n2cc(C)ccc2c1.
What is the InChIKey of 2-acetyl-7-methylquinolizin-4-one?
The InChIKey is HOWSJLFPEZZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-11-5-10(9(2)14)6-12(15)13(11)7-8/h3-7H,1-2H3.
What are the key properties of 2-acetyl-7-methylquinolizin-4-one?
2-acetyl-7-methylquinolizin-4-one has a molecular weight of 201.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-methylquinolizin-4-one is sourced from PubChem (CID 21364098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).