9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one

C12H10FNO3 — CID 177352499

IUPAC9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one
SMILESCC(=O)c1cc(F)cn2c(=O)c(C)c(O)cc12
InChIInChI=1S/C12H10FNO3/c1-6-11(16)4-10-9(7(2)15)3-8(13)5-14(10)12(6)17/h3-5,16H,1-2H3
InChIKeyFKQVEFWHHCFTIW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.66
Rot. Bonds1

About 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one

9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one (PubChem CID 177352499) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one.

Molecular Properties

Compound Name9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one
PubChem CID177352499
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one
SMILESCC(=O)c1cc(F)cn2c(=O)c(C)c(O)cc12
InChIInChI=1S/C12H10FNO3/c1-6-11(16)4-10-9(7(2)15)3-8(13)5-14(10)12(6)17/h3-5,16H,1-2H3
InChIKeyFKQVEFWHHCFTIW-UHFFFAOYSA-N
XLogP1.66
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
The IUPAC name of 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one (CID 177352499) is 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one.
What is the SMILES notation for 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
The canonical SMILES for 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one is CC(=O)c1cc(F)cn2c(=O)c(C)c(O)cc12.
What is the InChIKey of 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
The InChIKey is FKQVEFWHHCFTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-6-11(16)4-10-9(7(2)15)3-8(13)5-14(10)12(6)17/h3-5,16H,1-2H3.
What are the key properties of 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one?
9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one has a molecular weight of 235.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-7-fluoro-2-hydroxy-3-methylquinolizin-4-one is sourced from PubChem (CID 177352499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).