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

C22H15NO2 — CID 2063288

IUPAC2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C22H15NO2/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,24,25)
InChIKeyVESNJOQCJLQZSK-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.27
Rot. Bonds3

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

2-(4-phenylphenyl)quinoline-4-carboxylic acid (PubChem CID 2063288) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(4-phenylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)quinoline-4-carboxylic acid
PubChem CID2063288
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name2-(4-phenylphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C22H15NO2/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,24,25)
InChIKeyVESNJOQCJLQZSK-UHFFFAOYSA-N
XLogP5.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-phenylphenyl)quinoline-4-carboxylic acid (CID 2063288) is 2-(4-phenylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-phenylphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-phenylphenyl)quinoline-4-carboxylic acid?
The InChIKey is VESNJOQCJLQZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,24,25).
What are the key properties of 2-(4-phenylphenyl)quinoline-4-carboxylic acid?
2-(4-phenylphenyl)quinoline-4-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 2063288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).