4-ethyl-5-hydroxy-2-methylisoquinolin-1-one

C12H13NO2 — CID 115063411

IUPAC4-ethyl-5-hydroxy-2-methylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2cccc(O)c12
InChIInChI=1S/C12H13NO2/c1-3-8-7-13(2)12(15)9-5-4-6-10(14)11(8)9/h4-7,14H,3H2,1-2H3
InChIKeySIDLGQUXRROUMG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds1

About 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one

4-ethyl-5-hydroxy-2-methylisoquinolin-1-one (PubChem CID 115063411) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-ethyl-5-hydroxy-2-methylisoquinolin-1-one
PubChem CID115063411
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-ethyl-5-hydroxy-2-methylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2cccc(O)c12
InChIInChI=1S/C12H13NO2/c1-3-8-7-13(2)12(15)9-5-4-6-10(14)11(8)9/h4-7,14H,3H2,1-2H3
InChIKeySIDLGQUXRROUMG-UHFFFAOYSA-N
XLogP1.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-5-hydroxy-2-methylisoquinolin-1-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 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one?
The IUPAC name of 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one (CID 115063411) is 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one?
The canonical SMILES for 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one is CCc1cn(C)c(=O)c2cccc(O)c12.
What is the InChIKey of 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one?
The InChIKey is SIDLGQUXRROUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-7-13(2)12(15)9-5-4-6-10(14)11(8)9/h4-7,14H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one?
4-ethyl-5-hydroxy-2-methylisoquinolin-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-hydroxy-2-methylisoquinolin-1-one is sourced from PubChem (CID 115063411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).