8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid

C11H10FNO3 — CID 53276024

IUPAC8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)c2cccc(F)c21
InChIInChI=1S/C11H10FNO3/c1-13-9(14)5-7(11(15)16)6-3-2-4-8(12)10(6)13/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyLLMVDBFCIRJJJE-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.36
Rot. Bonds1

About 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid

8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid (PubChem CID 53276024) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
PubChem CID53276024
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)c2cccc(F)c21
InChIInChI=1S/C11H10FNO3/c1-13-9(14)5-7(11(15)16)6-3-2-4-8(12)10(6)13/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyLLMVDBFCIRJJJE-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid?
The IUPAC name of 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid (CID 53276024) is 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid?
The canonical SMILES for 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid is CN1C(=O)CC(C(=O)O)c2cccc(F)c21.
What is the InChIKey of 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid?
The InChIKey is LLMVDBFCIRJJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-13-9(14)5-7(11(15)16)6-3-2-4-8(12)10(6)13/h2-4,7H,5H2,1H3,(H,15,16).
What are the key properties of 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid?
8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid is sourced from PubChem (CID 53276024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).