8-(4-phenylquinolin-2-yl)oxyoctanoic acid

C23H25NO3 — CID 10021622

IUPAC8-(4-phenylquinolin-2-yl)oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H25NO3/c25-23(26)15-7-2-1-3-10-16-27-22-17-20(18-11-5-4-6-12-18)19-13-8-9-14-21(19)24-22/h4-6,8-9,11-14,17H,1-3,7,10,15-16H2,(H,25,26)
InChIKeyZZEXIUMYLAMATE-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.71
Rot. Bonds10

About 8-(4-phenylquinolin-2-yl)oxyoctanoic acid

8-(4-phenylquinolin-2-yl)oxyoctanoic acid (PubChem CID 10021622) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-(4-phenylquinolin-2-yl)oxyoctanoic acid.

Molecular Properties

Compound Name8-(4-phenylquinolin-2-yl)oxyoctanoic acid
PubChem CID10021622
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name8-(4-phenylquinolin-2-yl)oxyoctanoic acid
SMILESO=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H25NO3/c25-23(26)15-7-2-1-3-10-16-27-22-17-20(18-11-5-4-6-12-18)19-13-8-9-14-21(19)24-22/h4-6,8-9,11-14,17H,1-3,7,10,15-16H2,(H,25,26)
InChIKeyZZEXIUMYLAMATE-UHFFFAOYSA-N
XLogP5.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.71
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 8-(4-phenylquinolin-2-yl)oxyoctanoic acid?
The IUPAC name of 8-(4-phenylquinolin-2-yl)oxyoctanoic acid (CID 10021622) is 8-(4-phenylquinolin-2-yl)oxyoctanoic acid.
What is the SMILES notation for 8-(4-phenylquinolin-2-yl)oxyoctanoic acid?
The canonical SMILES for 8-(4-phenylquinolin-2-yl)oxyoctanoic acid is O=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 8-(4-phenylquinolin-2-yl)oxyoctanoic acid?
The InChIKey is ZZEXIUMYLAMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c25-23(26)15-7-2-1-3-10-16-27-22-17-20(18-11-5-4-6-12-18)19-13-8-9-14-21(19)24-22/h4-6,8-9,11-14,17H,1-3,7,10,15-16H2,(H,25,26).
What are the key properties of 8-(4-phenylquinolin-2-yl)oxyoctanoic acid?
8-(4-phenylquinolin-2-yl)oxyoctanoic acid has a molecular weight of 363.46 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylquinolin-2-yl)oxyoctanoic acid is sourced from PubChem (CID 10021622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).