2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde

C12H11NO2 — CID 87246653

IUPAC2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde
SMILESCc1ccc2c(CC=O)ccc(O)c2n1
InChIInChI=1S/C12H11NO2/c1-8-2-4-10-9(6-7-14)3-5-11(15)12(10)13-8/h2-5,7,15H,6H2,1H3
InChIKeyKODAHGPUHVZZTO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.99
Rot. Bonds2

About 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde

2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde (PubChem CID 87246653) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde
PubChem CID87246653
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde
SMILESCc1ccc2c(CC=O)ccc(O)c2n1
InChIInChI=1S/C12H11NO2/c1-8-2-4-10-9(6-7-14)3-5-11(15)12(10)13-8/h2-5,7,15H,6H2,1H3
InChIKeyKODAHGPUHVZZTO-UHFFFAOYSA-N
XLogP1.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde 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 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde?
The IUPAC name of 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde (CID 87246653) is 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde?
The canonical SMILES for 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde is Cc1ccc2c(CC=O)ccc(O)c2n1.
What is the InChIKey of 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde?
The InChIKey is KODAHGPUHVZZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-2-4-10-9(6-7-14)3-5-11(15)12(10)13-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde?
2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde has a molecular weight of 201.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde is sourced from PubChem (CID 87246653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).