5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

C21H21NO3 — CID 14742700

IUPAC5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H21NO3/c23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24)
InChIKeyGEPCPHZJFQZONY-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.61
Rot. Bonds8

About 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (PubChem CID 14742700) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
PubChem CID14742700
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H21NO3/c23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24)
InChIKeyGEPCPHZJFQZONY-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
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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Related Compounds

1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
7-[4-(quinolin-2-ylmethyl)phenyl]heptanoic acid
CID 15667428
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
CID 19745868
3-[4-(4-fluorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylpropanoic acid
CID 19745865
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
3-[4-(4-methylsulfanylphenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
CID 19745854
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159

Frequently Asked Questions

What is the IUPAC name of 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (CID 14742700) is 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The InChIKey is GEPCPHZJFQZONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24).
What are the key properties of 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid has a molecular weight of 335.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 14742700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).