5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid

C15H14FNO3 — CID 145287553

IUPAC5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid
SMILESO=C(O)c1ccc(F)c2cc(C3CCCCO3)cnc12
InChIInChI=1S/C15H14FNO3/c16-12-5-4-10(15(18)19)14-11(12)7-9(8-17-14)13-3-1-2-6-20-13/h4-5,7-8,13H,1-3,6H2,(H,18,19)
InChIKeyHHFMOMHMTYBEPO-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.31
Rot. Bonds2

About 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid

5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid (PubChem CID 145287553) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid
PubChem CID145287553
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid
SMILESO=C(O)c1ccc(F)c2cc(C3CCCCO3)cnc12
InChIInChI=1S/C15H14FNO3/c16-12-5-4-10(15(18)19)14-11(12)7-9(8-17-14)13-3-1-2-6-20-13/h4-5,7-8,13H,1-3,6H2,(H,18,19)
InChIKeyHHFMOMHMTYBEPO-UHFFFAOYSA-N
XLogP3.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid?
The IUPAC name of 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid (CID 145287553) is 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid.
What is the SMILES notation for 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid?
The canonical SMILES for 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid is O=C(O)c1ccc(F)c2cc(C3CCCCO3)cnc12.
What is the InChIKey of 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid?
The InChIKey is HHFMOMHMTYBEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-12-5-4-10(15(18)19)14-11(12)7-9(8-17-14)13-3-1-2-6-20-13/h4-5,7-8,13H,1-3,6H2,(H,18,19).
What are the key properties of 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid?
5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(oxan-2-yl)quinoline-8-carboxylic acid is sourced from PubChem (CID 145287553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).