2-acetyl-3-bromo-7-fluoroquinolizin-4-one

C11H7BrFNO2 — CID 118627529

IUPAC2-acetyl-3-bromo-7-fluoroquinolizin-4-one
SMILESCC(=O)c1cc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C11H7BrFNO2/c1-6(15)9-4-8-3-2-7(13)5-14(8)11(16)10(9)12/h2-5H,1H3
InChIKeyCOTNPUAHWDQOGZ-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.40
Rot. Bonds1

About 2-acetyl-3-bromo-7-fluoroquinolizin-4-one

2-acetyl-3-bromo-7-fluoroquinolizin-4-one (PubChem CID 118627529) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 2-acetyl-3-bromo-7-fluoroquinolizin-4-one.

Molecular Properties

Compound Name2-acetyl-3-bromo-7-fluoroquinolizin-4-one
PubChem CID118627529
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name2-acetyl-3-bromo-7-fluoroquinolizin-4-one
SMILESCC(=O)c1cc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C11H7BrFNO2/c1-6(15)9-4-8-3-2-7(13)5-14(8)11(16)10(9)12/h2-5H,1H3
InChIKeyCOTNPUAHWDQOGZ-UHFFFAOYSA-N
XLogP2.40
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-Bromo-9-(trifluoromethyl)quinolizin-4-one
CID 115052873
3-Bromo-7-(trifluoromethyl)quinolizin-4-one
CID 115052877
2-Acetyl-7-methylquinolizin-4-one
CID 21364098
2-Acetylquinolizin-4-one
CID 118627592
2-Acetyl-3-bromo-6-methylquinolizin-4-one
CID 118627616
2-Acetyl-3-bromoquinolizin-4-one
CID 118627640
2-Acetyl-7-fluoro-3-methylquinolizin-4-one;ethane
CID 145333127
3-Bromo-9-methylquinolizin-4-one
CID 115042425
3-Bromo-7-methylquinolizin-4-one
CID 115042429

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-bromo-7-fluoroquinolizin-4-one?
The IUPAC name of 2-acetyl-3-bromo-7-fluoroquinolizin-4-one (CID 118627529) is 2-acetyl-3-bromo-7-fluoroquinolizin-4-one.
What is the SMILES notation for 2-acetyl-3-bromo-7-fluoroquinolizin-4-one?
The canonical SMILES for 2-acetyl-3-bromo-7-fluoroquinolizin-4-one is CC(=O)c1cc2ccc(F)cn2c(=O)c1Br.
What is the InChIKey of 2-acetyl-3-bromo-7-fluoroquinolizin-4-one?
The InChIKey is COTNPUAHWDQOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-6(15)9-4-8-3-2-7(13)5-14(8)11(16)10(9)12/h2-5H,1H3.
What are the key properties of 2-acetyl-3-bromo-7-fluoroquinolizin-4-one?
2-acetyl-3-bromo-7-fluoroquinolizin-4-one has a molecular weight of 284.08 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-bromo-7-fluoroquinolizin-4-one is sourced from PubChem (CID 118627529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).