4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

C22H23NO3 — CID 14742702

IUPAC4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
SMILESCC(CCC(=O)O)Cc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23NO3/c1-16(9-12-22(24)25)13-17-5-4-7-20(14-17)26-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25)
InChIKeyFGXYVESYEYBLLQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.86
Rot. Bonds8

About 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (PubChem CID 14742702) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
PubChem CID14742702
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
SMILESCC(CCC(=O)O)Cc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23NO3/c1-16(9-12-22(24)25)13-17-5-4-7-20(14-17)26-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25)
InChIKeyFGXYVESYEYBLLQ-UHFFFAOYSA-N
XLogP4.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The IUPAC name of 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (CID 14742702) is 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The canonical SMILES for 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is CC(CCC(=O)O)Cc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The InChIKey is FGXYVESYEYBLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16(9-12-22(24)25)13-17-5-4-7-20(14-17)26-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25).
What are the key properties of 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid has a molecular weight of 349.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 14742702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).