1-acetylquinolizin-4-one

C11H9NO2 — CID 121216463

IUPAC1-acetylquinolizin-4-one
SMILESCC(=O)c1ccc(=O)n2ccccc12
InChIInChI=1S/C11H9NO2/c1-8(13)9-5-6-11(14)12-7-3-2-4-10(9)12/h2-7H,1H3
InChIKeyNXVOXZZABRYLEO-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.50
Rot. Bonds1

About 1-acetylquinolizin-4-one

1-acetylquinolizin-4-one (PubChem CID 121216463) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-acetylquinolizin-4-one.

Molecular Properties

Compound Name1-acetylquinolizin-4-one
PubChem CID121216463
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-acetylquinolizin-4-one
SMILESCC(=O)c1ccc(=O)n2ccccc12
InChIInChI=1S/C11H9NO2/c1-8(13)9-5-6-11(14)12-7-3-2-4-10(9)12/h2-7H,1H3
InChIKeyNXVOXZZABRYLEO-UHFFFAOYSA-N
XLogP1.50
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinone, 12
CID 14929519
1-Methyl-1,7-dihydroquinolin-7-one
CID 10176252
1-Methylquinoline-2,5,8(1H)-trione
CID 5325722
6-Dimethylamino-1-methyl-1h-quinoline-2,5,8-trione
CID 15154335
2-Ethylisoquinolin-3-one
CID 12435499
5-Acetyl-1-methylpyridin-2(1H)-one
CID 14665251
2-Acetyl-3-bromo-7-fluoroquinolizin-4-one
CID 118627529
2-acetyl-7-fluoro-4H-quinolizin-4-one
CID 118627550
2-Acetyl-7-fluoro-3-methylquinolizin-4-one
CID 129248568
2-Acetyl-7-fluoro-3-iodoquinolizin-4-one
CID 129248574
4-Oxo-4h-quinolizinecarbaldehyde
CID 23257497
1,2-Dimethyl-3(2H)-isoquinolinone
CID 86181879

Frequently Asked Questions

What is the IUPAC name of 1-acetylquinolizin-4-one?
The IUPAC name of 1-acetylquinolizin-4-one (CID 121216463) is 1-acetylquinolizin-4-one.
What is the SMILES notation for 1-acetylquinolizin-4-one?
The canonical SMILES for 1-acetylquinolizin-4-one is CC(=O)c1ccc(=O)n2ccccc12.
What is the InChIKey of 1-acetylquinolizin-4-one?
The InChIKey is NXVOXZZABRYLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8(13)9-5-6-11(14)12-7-3-2-4-10(9)12/h2-7H,1H3.
What are the key properties of 1-acetylquinolizin-4-one?
1-acetylquinolizin-4-one has a molecular weight of 187.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylquinolizin-4-one is sourced from PubChem (CID 121216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).