4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid

C20H19NO4 — CID 14650341

IUPAC4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H19NO4/c22-20(23)6-3-13-24-17-9-11-18(12-10-17)25-14-16-8-7-15-4-1-2-5-19(15)21-16/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,23)
InChIKeyMYSHIWFTLJUGST-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.06
Rot. Bonds8

About 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid

4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid (PubChem CID 14650341) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid
PubChem CID14650341
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H19NO4/c22-20(23)6-3-13-24-17-9-11-18(12-10-17)25-14-16-8-7-15-4-1-2-5-19(15)21-16/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,23)
InChIKeyMYSHIWFTLJUGST-UHFFFAOYSA-N
XLogP4.06
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Veliflapon
CID 123723
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
L 674573
CID 124437
A-93178
CID 101018054
Cgp 57698
CID 9888588
Abt-080
CID 9850972
Wy 45911
CID 129110
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
2,2-Diethyl-N-[3-(quinolin-2-ylmethoxy)-phenyl]-succinamic acid
CID 9822618
4-[3-(6,7-Difluoro-2-quinolinylmethoxy)phenylamino]-2,2-diethyl-4-oxobutanoic acid
CID 22416923
8-(Benzyloxy)-2-methylquinoline
CID 737473
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863

Frequently Asked Questions

What is the IUPAC name of 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid?
The IUPAC name of 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid (CID 14650341) is 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid?
The canonical SMILES for 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid is O=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid?
The InChIKey is MYSHIWFTLJUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-20(23)6-3-13-24-17-9-11-18(12-10-17)25-14-16-8-7-15-4-1-2-5-19(15)21-16/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,23).
What are the key properties of 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid?
4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid has a molecular weight of 337.38 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(quinolin-2-ylmethoxy)phenoxy]butanoic acid is sourced from PubChem (CID 14650341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).