2-phenylquinoline-4-carboxylic acid

C16H11NO2 — CID 8593

💊View drug profile → cinchophen
IUPAC2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
InChIKeyYTRMTPPVNRALON-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.60
Rot. Bonds2

About 2-phenylquinoline-4-carboxylic acid

2-phenylquinoline-4-carboxylic acid (PubChem CID 8593) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-phenylquinoline-4-carboxylic acid
PubChem CID8593
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
InChIKeyYTRMTPPVNRALON-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Brequinar
CID 57030
Quinaldic Acid
CID 7124
Oxycinchophen
CID 10239
1-Phenazinecarboxylic acid
CID 95069
Bicinchoninic acid
CID 71068
4-Quinolinecarboxylic acid
CID 10243
Neocinchophen
CID 68089
Tetrophan
CID 120171
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595
2-(Thiophen-2-yl)quinoline-4-carboxylic acid
CID 620452
2,6-Diphenylisonicotinic acid
CID 3490694
Mefloquine carboxylic acid
CID 169721

Frequently Asked Questions

What is the IUPAC name of 2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 2-phenylquinoline-4-carboxylic acid (CID 8593) is 2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 2-phenylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenylquinoline-4-carboxylic acid?
The InChIKey is YTRMTPPVNRALON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19).
What are the key properties of 2-phenylquinoline-4-carboxylic acid?
2-phenylquinoline-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 8593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).