5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid

C21H21NO3 — CID 139921962

IUPAC5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1cccc(OCc2ccc3cccnc3c2)c1
InChIInChI=1S/C21H21NO3/c23-21(24)9-2-1-5-16-6-3-8-19(13-16)25-15-17-10-11-18-7-4-12-22-20(18)14-17/h3-4,6-8,10-14H,1-2,5,9,15H2,(H,23,24)
InChIKeyCGJPYKOQGOXYMO-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.61
Rot. Bonds8

About 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid

5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid (PubChem CID 139921962) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
PubChem CID139921962
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1cccc(OCc2ccc3cccnc3c2)c1
InChIInChI=1S/C21H21NO3/c23-21(24)9-2-1-5-16-6-3-8-19(13-16)25-15-17-10-11-18-7-4-12-22-20(18)14-17/h3-4,6-8,10-14H,1-2,5,9,15H2,(H,23,24)
InChIKeyCGJPYKOQGOXYMO-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'}

Analyze 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
CID 139922084
5-[3-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
6-[3-(isoquinolin-1-ylmethoxy)phenyl]hexanoic acid
CID 139921722
7-[(3-fluorophenoxy)methyl]quinoline
CID 174578180
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
10-naphthalen-2-yldecanoic acid
CID 21478009
2-quinolin-7-ylacetic acid
CID 18675903
3-quinolin-7-ylpropanamide
CID 82578510
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104

Frequently Asked Questions

What is the IUPAC name of 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid (CID 139921962) is 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid is O=C(O)CCCCc1cccc(OCc2ccc3cccnc3c2)c1.
What is the InChIKey of 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
The InChIKey is CGJPYKOQGOXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-21(24)9-2-1-5-16-6-3-8-19(13-16)25-15-17-10-11-18-7-4-12-22-20(18)14-17/h3-4,6-8,10-14H,1-2,5,9,15H2,(H,23,24).
What are the key properties of 5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid?
5-[3-(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-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 139921962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).