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

C14H16FNO2 — CID 145333127

IUPAC2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane
SMILESCC.CC(=O)c1cc2ccc(F)cn2c(=O)c1C
InChIInChI=1S/C12H10FNO2.C2H6/c1-7-11(8(2)15)5-10-4-3-9(13)6-14(10)12(7)16;1-2/h3-6H,1-2H3;1-2H3
InChIKeyXVYNRGYRVGABHQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.98
Rot. Bonds1

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

2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane (PubChem CID 145333127) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane.

Molecular Properties

Compound Name2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane
PubChem CID145333127
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane
SMILESCC.CC(=O)c1cc2ccc(F)cn2c(=O)c1C
InChIInChI=1S/C12H10FNO2.C2H6/c1-7-11(8(2)15)5-10-4-3-9(13)6-14(10)12(7)16;1-2/h3-6H,1-2H3;1-2H3
InChIKeyXVYNRGYRVGABHQ-UHFFFAOYSA-N
XLogP2.98
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.98
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;ethane?
The IUPAC name of 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane (CID 145333127) is 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane.
What is the SMILES notation for 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane?
The canonical SMILES for 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane is CC.CC(=O)c1cc2ccc(F)cn2c(=O)c1C.
What is the InChIKey of 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane?
The InChIKey is XVYNRGYRVGABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2.C2H6/c1-7-11(8(2)15)5-10-4-3-9(13)6-14(10)12(7)16;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane?
2-acetyl-7-fluoro-3-methylquinolizin-4-one;ethane has a molecular weight of 249.28 g/mol, XLogP of 2.98, 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;ethane is sourced from PubChem (CID 145333127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).