5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid

C22H23NO3 — CID 14742701

IUPAC5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23NO3/c1-16(6-4-11-22(24)25)18-8-5-9-20(14-18)26-15-19-13-12-17-7-2-3-10-21(17)23-19/h2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25)
InChIKeyLSGRVFKVXFZMMC-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.17
Rot. Bonds8

About 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid

5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid (PubChem CID 14742701) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid.

Molecular Properties

Compound Name5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
PubChem CID14742701
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
SMILESCC(CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H23NO3/c1-16(6-4-11-22(24)25)18-8-5-9-20(14-18)26-15-19-13-12-17-7-2-3-10-21(17)23-19/h2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25)
InChIKeyLSGRVFKVXFZMMC-UHFFFAOYSA-N
XLogP5.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
The IUPAC name of 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid (CID 14742701) is 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid.
What is the SMILES notation for 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
The canonical SMILES for 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid is CC(CCCC(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
The InChIKey is LSGRVFKVXFZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16(6-4-11-22(24)25)18-8-5-9-20(14-18)26-15-19-13-12-17-7-2-3-10-21(17)23-19/h2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25).
What are the key properties of 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid?
5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid has a molecular weight of 349.43 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid is sourced from PubChem (CID 14742701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).