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

C12H10FNO2 — CID 129248568

IUPAC2-acetyl-7-fluoro-3-methylquinolizin-4-one
SMILESCC(=O)c1cc2ccc(F)cn2c(=O)c1C
InChIInChI=1S/C12H10FNO2/c1-7-11(8(2)15)5-10-4-3-9(13)6-14(10)12(7)16/h3-6H,1-2H3
InChIKeyFBMAUARGGMHTEO-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.95
Rot. Bonds1

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

2-acetyl-7-fluoro-3-methylquinolizin-4-one (PubChem CID 129248568) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-acetyl-7-fluoro-3-methylquinolizin-4-one.

Molecular Properties

Compound Name2-acetyl-7-fluoro-3-methylquinolizin-4-one
PubChem CID129248568
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Name2-acetyl-7-fluoro-3-methylquinolizin-4-one
SMILESCC(=O)c1cc2ccc(F)cn2c(=O)c1C
InChIInChI=1S/C12H10FNO2/c1-7-11(8(2)15)5-10-4-3-9(13)6-14(10)12(7)16/h3-6H,1-2H3
InChIKeyFBMAUARGGMHTEO-UHFFFAOYSA-N
XLogP1.95
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-fluoro-3-methylquinolizin-4-one?
The IUPAC name of 2-acetyl-7-fluoro-3-methylquinolizin-4-one (CID 129248568) is 2-acetyl-7-fluoro-3-methylquinolizin-4-one.
What is the SMILES notation for 2-acetyl-7-fluoro-3-methylquinolizin-4-one?
The canonical SMILES for 2-acetyl-7-fluoro-3-methylquinolizin-4-one is CC(=O)c1cc2ccc(F)cn2c(=O)c1C.
What is the InChIKey of 2-acetyl-7-fluoro-3-methylquinolizin-4-one?
The InChIKey is FBMAUARGGMHTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-7-11(8(2)15)5-10-4-3-9(13)6-14(10)12(7)16/h3-6H,1-2H3.
What are the key properties of 2-acetyl-7-fluoro-3-methylquinolizin-4-one?
2-acetyl-7-fluoro-3-methylquinolizin-4-one has a molecular weight of 219.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-fluoro-3-methylquinolizin-4-one is sourced from PubChem (CID 129248568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).