6-(4-phenylquinolin-2-yl)oxyhexanoic acid

C21H21NO3 — CID 10019853

IUPAC6-(4-phenylquinolin-2-yl)oxyhexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H21NO3/c23-21(24)13-5-2-8-14-25-20-15-18(16-9-3-1-4-10-16)17-11-6-7-12-19(17)22-20/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2,(H,23,24)
InChIKeyVHYFLZMNFAKJSF-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.93
Rot. Bonds8

About 6-(4-phenylquinolin-2-yl)oxyhexanoic acid

6-(4-phenylquinolin-2-yl)oxyhexanoic acid (PubChem CID 10019853) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-(4-phenylquinolin-2-yl)oxyhexanoic acid.

Molecular Properties

Compound Name6-(4-phenylquinolin-2-yl)oxyhexanoic acid
PubChem CID10019853
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name6-(4-phenylquinolin-2-yl)oxyhexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H21NO3/c23-21(24)13-5-2-8-14-25-20-15-18(16-9-3-1-4-10-16)17-11-6-7-12-19(17)22-20/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2,(H,23,24)
InChIKeyVHYFLZMNFAKJSF-UHFFFAOYSA-N
XLogP4.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.93
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 6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The IUPAC name of 6-(4-phenylquinolin-2-yl)oxyhexanoic acid (CID 10019853) is 6-(4-phenylquinolin-2-yl)oxyhexanoic acid.
What is the SMILES notation for 6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The canonical SMILES for 6-(4-phenylquinolin-2-yl)oxyhexanoic acid is O=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
The InChIKey is VHYFLZMNFAKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-21(24)13-5-2-8-14-25-20-15-18(16-9-3-1-4-10-16)17-11-6-7-12-19(17)22-20/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2,(H,23,24).
What are the key properties of 6-(4-phenylquinolin-2-yl)oxyhexanoic acid?
6-(4-phenylquinolin-2-yl)oxyhexanoic acid has a molecular weight of 335.40 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylquinolin-2-yl)oxyhexanoic acid is sourced from PubChem (CID 10019853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).