8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid

C15H9NO4 — CID 169335149

IUPAC8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
SMILESO=Cc1ccc(-c2cccc3ccc(C(=O)O)nc23)o1
InChIInChI=1S/C15H9NO4/c17-8-10-5-7-13(20-10)11-3-1-2-9-4-6-12(15(18)19)16-14(9)11/h1-8H,(H,18,19)
InChIKeyHKNUGLDOPKZLIW-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.01
Rot. Bonds3

About 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid

8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid (PubChem CID 169335149) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
PubChem CID169335149
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
SMILESO=Cc1ccc(-c2cccc3ccc(C(=O)O)nc23)o1
InChIInChI=1S/C15H9NO4/c17-8-10-5-7-13(20-10)11-3-1-2-9-4-6-12(15(18)19)16-14(9)11/h1-8H,(H,18,19)
InChIKeyHKNUGLDOPKZLIW-UHFFFAOYSA-N
XLogP3.01
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-(5-formylfuran-2-yl)quinoline-2-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 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid?
The IUPAC name of 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid (CID 169335149) is 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid is O=Cc1ccc(-c2cccc3ccc(C(=O)O)nc23)o1.
What is the InChIKey of 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid?
The InChIKey is HKNUGLDOPKZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-8-10-5-7-13(20-10)11-3-1-2-9-4-6-12(15(18)19)16-14(9)11/h1-8H,(H,18,19).
What are the key properties of 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid?
8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid is sourced from PubChem (CID 169335149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).