5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid

C21H21NO3 — CID 139922084

IUPAC5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccccc1OCc1ccc2cccnc2c1
InChIInChI=1S/C21H21NO3/c23-21(24)10-4-2-7-18-6-1-3-9-20(18)25-15-16-11-12-17-8-5-13-22-19(17)14-16/h1,3,5-6,8-9,11-14H,2,4,7,10,15H2,(H,23,24)
InChIKeyJQDQXYUDIPNYLN-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.61
Rot. Bonds8

About 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid

5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid (PubChem CID 139922084) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
PubChem CID139922084
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccccc1OCc1ccc2cccnc2c1
InChIInChI=1S/C21H21NO3/c23-21(24)10-4-2-7-18-6-1-3-9-20(18)25-15-16-11-12-17-8-5-13-22-19(17)14-16/h1,3,5-6,8-9,11-14H,2,4,7,10,15H2,(H,23,24)
InChIKeyJQDQXYUDIPNYLN-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

5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
CID 139921962
7-[2-(1,3-benzodioxol-5-ylmethoxy)phenyl]heptanoic acid
CID 139921861
2-quinolin-7-ylacetic acid
CID 18675903
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
3-quinolin-7-ylpropanamide
CID 82578510
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
3-oxo-6-(2-phenylmethoxyphenyl)hexanoic acid
CID 70435741
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
CID 59402735

Frequently Asked Questions

What is the IUPAC name of 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid (CID 139922084) is 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid is O=C(O)CCCCc1ccccc1OCc1ccc2cccnc2c1.
What is the InChIKey of 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
The InChIKey is JQDQXYUDIPNYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-21(24)10-4-2-7-18-6-1-3-9-20(18)25-15-16-11-12-17-8-5-13-22-19(17)14-16/h1,3,5-6,8-9,11-14H,2,4,7,10,15H2,(H,23,24).
What are the key properties of 5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
5-[2-(quinolin-7-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-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 139922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).