4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid

C24H19NO4 — CID 10156907

IUPAC4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H19NO4/c26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20/h1-14H,15-16H2,(H,26,27)
InChIKeyUWJYISOBKQTNTQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.09
Rot. Bonds7

About 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid

4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid (PubChem CID 10156907) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
PubChem CID10156907
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H19NO4/c26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20/h1-14H,15-16H2,(H,26,27)
InChIKeyUWJYISOBKQTNTQ-UHFFFAOYSA-N
XLogP5.09
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70696345
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The IUPAC name of 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid (CID 10156907) is 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The canonical SMILES for 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid is O=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.
What is the InChIKey of 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
The InChIKey is UWJYISOBKQTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20/h1-14H,15-16H2,(H,26,27).
What are the key properties of 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid?
4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid has a molecular weight of 385.42 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 10156907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).