1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C11H8FNO3 — CID 56609217

IUPAC1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)O)cc(F)c12
InChIInChI=1S/C11H8FNO3/c1-6-3-2-4-13-9(6)8(12)5-7(10(13)14)11(15)16/h2-5H,1H3,(H,15,16)
InChIKeyFBWBQUXXKHOYLM-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.45
Rot. Bonds1

About 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56609217) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID56609217
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)O)cc(F)c12
InChIInChI=1S/C11H8FNO3/c1-6-3-2-4-13-9(6)8(12)5-7(10(13)14)11(15)16/h2-5H,1H3,(H,15,16)
InChIKeyFBWBQUXXKHOYLM-UHFFFAOYSA-N
XLogP1.45
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 56609217) is 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1cccn2c(=O)c(C(=O)O)cc(F)c12.
What is the InChIKey of 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is FBWBQUXXKHOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-6-3-2-4-13-9(6)8(12)5-7(10(13)14)11(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).