4-quinolin-8-yloxybutanoic acid

C13H13NO3 — CID 6471836

IUPAC4-quinolin-8-yloxybutanoic acid
SMILESO=C(O)CCCOc1cccc2cccnc12
InChIInChI=1S/C13H13NO3/c15-12(16)7-3-9-17-11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2,(H,15,16)
InChIKeyFEFCFHAKDHAQEC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.48
Rot. Bonds5

About 4-quinolin-8-yloxybutanoic acid

4-quinolin-8-yloxybutanoic acid (PubChem CID 6471836) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-quinolin-8-yloxybutanoic acid.

Molecular Properties

Compound Name4-quinolin-8-yloxybutanoic acid
PubChem CID6471836
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-quinolin-8-yloxybutanoic acid
SMILESO=C(O)CCCOc1cccc2cccnc12
InChIInChI=1S/C13H13NO3/c15-12(16)7-3-9-17-11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2,(H,15,16)
InChIKeyFEFCFHAKDHAQEC-UHFFFAOYSA-N
XLogP2.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-quinolin-8-yloxybutanoic acid?
The IUPAC name of 4-quinolin-8-yloxybutanoic acid (CID 6471836) is 4-quinolin-8-yloxybutanoic acid.
What is the SMILES notation for 4-quinolin-8-yloxybutanoic acid?
The canonical SMILES for 4-quinolin-8-yloxybutanoic acid is O=C(O)CCCOc1cccc2cccnc12.
What is the InChIKey of 4-quinolin-8-yloxybutanoic acid?
The InChIKey is FEFCFHAKDHAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(16)7-3-9-17-11-6-1-4-10-5-2-8-14-13(10)11/h1-2,4-6,8H,3,7,9H2,(H,15,16).
What are the key properties of 4-quinolin-8-yloxybutanoic acid?
4-quinolin-8-yloxybutanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-8-yloxybutanoic acid is sourced from PubChem (CID 6471836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).