4-(oxan-4-yloxy)quinoline-2-carboxylic acid

C15H15NO4 — CID 63374463

IUPAC4-(oxan-4-yloxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOCC2)c2ccccc2n1
InChIInChI=1S/C15H15NO4/c17-15(18)13-9-14(20-10-5-7-19-8-6-10)11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyHSSZHQDLIOLKSI-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.49
Rot. Bonds3

About 4-(oxan-4-yloxy)quinoline-2-carboxylic acid

4-(oxan-4-yloxy)quinoline-2-carboxylic acid (PubChem CID 63374463) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-4-yloxy)quinoline-2-carboxylic acid
PubChem CID63374463
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-(oxan-4-yloxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOCC2)c2ccccc2n1
InChIInChI=1S/C15H15NO4/c17-15(18)13-9-14(20-10-5-7-19-8-6-10)11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyHSSZHQDLIOLKSI-UHFFFAOYSA-N
XLogP2.49
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)quinoline-2-carboxylic acid?
The IUPAC name of 4-(oxan-4-yloxy)quinoline-2-carboxylic acid (CID 63374463) is 4-(oxan-4-yloxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(oxan-4-yloxy)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(oxan-4-yloxy)quinoline-2-carboxylic acid is O=C(O)c1cc(OC2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-(oxan-4-yloxy)quinoline-2-carboxylic acid?
The InChIKey is HSSZHQDLIOLKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-15(18)13-9-14(20-10-5-7-19-8-6-10)11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8H2,(H,17,18).
What are the key properties of 4-(oxan-4-yloxy)quinoline-2-carboxylic acid?
4-(oxan-4-yloxy)quinoline-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 63374463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).