9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid

C11H8FNO3 — CID 56618208

IUPAC9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(CF)cccn2c1=O
InChIInChI=1S/C11H8FNO3/c12-6-7-2-1-5-13-9(7)4-3-8(10(13)14)11(15)16/h1-5H,6H2,(H,15,16)
InChIKeyOQTHGXWPJSKDCO-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.47
Rot. Bonds2

About 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid

9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56618208) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
PubChem CID56618208
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(CF)cccn2c1=O
InChIInChI=1S/C11H8FNO3/c12-6-7-2-1-5-13-9(7)4-3-8(10(13)14)11(15)16/h1-5H,6H2,(H,15,16)
InChIKeyOQTHGXWPJSKDCO-UHFFFAOYSA-N
XLogP1.47
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid (CID 56618208) is 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1ccc2c(CF)cccn2c1=O.
What is the InChIKey of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is OQTHGXWPJSKDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c12-6-7-2-1-5-13-9(7)4-3-8(10(13)14)11(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56618208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).