3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid

C13H11NO4 — CID 87406128

IUPAC3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid
SMILESO=Cc1cc(CCC(=O)O)c2cccnc2c1O
InChIInChI=1S/C13H11NO4/c15-7-9-6-8(3-4-11(16)17)10-2-1-5-14-12(10)13(9)18/h1-2,5-7,18H,3-4H2,(H,16,17)
InChIKeyXIZFETLFBLQBDX-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.77
Rot. Bonds4

About 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid

3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid (PubChem CID 87406128) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid
PubChem CID87406128
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid
SMILESO=Cc1cc(CCC(=O)O)c2cccnc2c1O
InChIInChI=1S/C13H11NO4/c15-7-9-6-8(3-4-11(16)17)10-2-1-5-14-12(10)13(9)18/h1-2,5-7,18H,3-4H2,(H,16,17)
InChIKeyXIZFETLFBLQBDX-UHFFFAOYSA-N
XLogP1.77
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic 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-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid?
The IUPAC name of 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid (CID 87406128) is 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid.
What is the SMILES notation for 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid?
The canonical SMILES for 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid is O=Cc1cc(CCC(=O)O)c2cccnc2c1O.
What is the InChIKey of 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid?
The InChIKey is XIZFETLFBLQBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-7-9-6-8(3-4-11(16)17)10-2-1-5-14-12(10)13(9)18/h1-2,5-7,18H,3-4H2,(H,16,17).
What are the key properties of 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid?
3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid has a molecular weight of 245.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid is sourced from PubChem (CID 87406128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).