7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid

C14H12FNO3 — CID 113483500

IUPAC7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCOC2)nc2cc(F)ccc12
InChIInChI=1S/C14H12FNO3/c15-9-1-2-10-11(14(17)18)6-12(16-13(10)5-9)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyIPSZCUFFGIKLBY-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.58
Rot. Bonds2

About 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid

7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid (PubChem CID 113483500) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
PubChem CID113483500
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCOC2)nc2cc(F)ccc12
InChIInChI=1S/C14H12FNO3/c15-9-1-2-10-11(14(17)18)6-12(16-13(10)5-9)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyIPSZCUFFGIKLBY-UHFFFAOYSA-N
XLogP2.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid (CID 113483500) is 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(C2CCOC2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
The InChIKey is IPSZCUFFGIKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-9-1-2-10-11(14(17)18)6-12(16-13(10)5-9)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2,(H,17,18).
What are the key properties of 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 113483500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).