3-phenylquinoline-2-carboxylic acid

C16H11NO2 — CID 3031738

IUPAC3-phenylquinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16(19)15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,(H,18,19)
InChIKeyJIPUGCBCIYYRSB-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.60
Rot. Bonds2

About 3-phenylquinoline-2-carboxylic acid

3-phenylquinoline-2-carboxylic acid (PubChem CID 3031738) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-phenylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-phenylquinoline-2-carboxylic acid
PubChem CID3031738
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name3-phenylquinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C16H11NO2/c18-16(19)15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,(H,18,19)
InChIKeyJIPUGCBCIYYRSB-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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Frequently Asked Questions

What is the IUPAC name of 3-phenylquinoline-2-carboxylic acid?
The IUPAC name of 3-phenylquinoline-2-carboxylic acid (CID 3031738) is 3-phenylquinoline-2-carboxylic acid.
What is the SMILES notation for 3-phenylquinoline-2-carboxylic acid?
The canonical SMILES for 3-phenylquinoline-2-carboxylic acid is O=C(O)c1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 3-phenylquinoline-2-carboxylic acid?
The InChIKey is JIPUGCBCIYYRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19)15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,(H,18,19).
What are the key properties of 3-phenylquinoline-2-carboxylic acid?
3-phenylquinoline-2-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 3-phenylquinoline-2-carboxylic acid is sourced from PubChem (CID 3031738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).