2-(4-phenoxyphenyl)quinoline-4-carboxylic acid

C22H15NO3 — CID 71817178

IUPAC2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C22H15NO3/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)15-10-12-17(13-11-15)26-16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChIKeyMVUPNDWTJDDSPA-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.39
Rot. Bonds4

About 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid

2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 71817178) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
PubChem CID71817178
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C22H15NO3/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)15-10-12-17(13-11-15)26-16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChIKeyMVUPNDWTJDDSPA-UHFFFAOYSA-N
XLogP5.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (CID 71817178) is 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is MVUPNDWTJDDSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)15-10-12-17(13-11-15)26-16-6-2-1-3-7-16/h1-14H,(H,24,25).
What are the key properties of 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
2-(4-phenoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 71817178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).