6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid

C13H12FNO5 — CID 15928670

IUPAC6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(COCCO)c2ccc(F)cc2c1=O
InChIInChI=1S/C13H12FNO5/c14-8-1-2-11-9(5-8)12(17)10(13(18)19)6-15(11)7-20-4-3-16/h1-2,5-6,16H,3-4,7H2,(H,18,19)
InChIKeyGMOPFWYXDQWRNB-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.81
Rot. Bonds5

About 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid

6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 15928670) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID15928670
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(COCCO)c2ccc(F)cc2c1=O
InChIInChI=1S/C13H12FNO5/c14-8-1-2-11-9(5-8)12(17)10(13(18)19)6-15(11)7-20-4-3-16/h1-2,5-6,16H,3-4,7H2,(H,18,19)
InChIKeyGMOPFWYXDQWRNB-UHFFFAOYSA-N
XLogP0.81
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid (CID 15928670) is 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(COCCO)c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is GMOPFWYXDQWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-8-1-2-11-9(5-8)12(17)10(13(18)19)6-15(11)7-20-4-3-16/h1-2,5-6,16H,3-4,7H2,(H,18,19).
What are the key properties of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 281.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).