3-phenylquinoline-7-carboxylic acid

C16H11NO2 — CID 68924560

IUPAC3-phenylquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3ccccc3)cnc2c1
InChIInChI=1S/C16H11NO2/c18-16(19)13-7-6-12-8-14(10-17-15(12)9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyVMTBQBVRRYCZCO-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.60
Rot. Bonds2

About 3-phenylquinoline-7-carboxylic acid

3-phenylquinoline-7-carboxylic acid (PubChem CID 68924560) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-phenylquinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-phenylquinoline-7-carboxylic acid
PubChem CID68924560
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name3-phenylquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3ccccc3)cnc2c1
InChIInChI=1S/C16H11NO2/c18-16(19)13-7-6-12-8-14(10-17-15(12)9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyVMTBQBVRRYCZCO-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

Analyze 3-phenylquinoline-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenylquinoline-7-carboxylic acid?
The IUPAC name of 3-phenylquinoline-7-carboxylic acid (CID 68924560) is 3-phenylquinoline-7-carboxylic acid.
What is the SMILES notation for 3-phenylquinoline-7-carboxylic acid?
The canonical SMILES for 3-phenylquinoline-7-carboxylic acid is O=C(O)c1ccc2cc(-c3ccccc3)cnc2c1.
What is the InChIKey of 3-phenylquinoline-7-carboxylic acid?
The InChIKey is VMTBQBVRRYCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19)13-7-6-12-8-14(10-17-15(12)9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of 3-phenylquinoline-7-carboxylic acid?
3-phenylquinoline-7-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-7-carboxylic acid is sourced from PubChem (CID 68924560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).