1-ethynyl-6-hydroxy-8-methylquinolin-4-one

C12H9NO2 — CID 167238606

IUPAC1-ethynyl-6-hydroxy-8-methylquinolin-4-one
SMILESC#Cn1ccc(=O)c2cc(O)cc(C)c21
InChIInChI=1S/C12H9NO2/c1-3-13-5-4-11(15)10-7-9(14)6-8(2)12(10)13/h1,4-7,14H,2H3
InChIKeyGMZNPZOPSGJLEI-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.45
Rot. Bonds

About 1-ethynyl-6-hydroxy-8-methylquinolin-4-one

1-ethynyl-6-hydroxy-8-methylquinolin-4-one (PubChem CID 167238606) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-ethynyl-6-hydroxy-8-methylquinolin-4-one.

Molecular Properties

Compound Name1-ethynyl-6-hydroxy-8-methylquinolin-4-one
PubChem CID167238606
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name1-ethynyl-6-hydroxy-8-methylquinolin-4-one
SMILESC#Cn1ccc(=O)c2cc(O)cc(C)c21
InChIInChI=1S/C12H9NO2/c1-3-13-5-4-11(15)10-7-9(14)6-8(2)12(10)13/h1,4-7,14H,2H3
InChIKeyGMZNPZOPSGJLEI-UHFFFAOYSA-N
XLogP1.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethynyl-6-hydroxy-8-methylquinolin-4-one 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 1-ethynyl-6-hydroxy-8-methylquinolin-4-one?
The IUPAC name of 1-ethynyl-6-hydroxy-8-methylquinolin-4-one (CID 167238606) is 1-ethynyl-6-hydroxy-8-methylquinolin-4-one.
What is the SMILES notation for 1-ethynyl-6-hydroxy-8-methylquinolin-4-one?
The canonical SMILES for 1-ethynyl-6-hydroxy-8-methylquinolin-4-one is C#Cn1ccc(=O)c2cc(O)cc(C)c21.
What is the InChIKey of 1-ethynyl-6-hydroxy-8-methylquinolin-4-one?
The InChIKey is GMZNPZOPSGJLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-3-13-5-4-11(15)10-7-9(14)6-8(2)12(10)13/h1,4-7,14H,2H3.
What are the key properties of 1-ethynyl-6-hydroxy-8-methylquinolin-4-one?
1-ethynyl-6-hydroxy-8-methylquinolin-4-one has a molecular weight of 199.21 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-6-hydroxy-8-methylquinolin-4-one is sourced from PubChem (CID 167238606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).