3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one

C13H15NO2 — CID 54725926

IUPAC3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one
SMILESCCc1c(O)c2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C13H15NO2/c1-4-9-12(15)11-8(3)5-7(2)6-10(11)14-13(9)16/h5-6H,4H2,1-3H3,(H2,14,15,16)
InChIKeyBMDLYMLRGRZGPA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds1

About 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one

3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 54725926) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one
PubChem CID54725926
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one
SMILESCCc1c(O)c2c(C)cc(C)cc2[nH]c1=O
InChIInChI=1S/C13H15NO2/c1-4-9-12(15)11-8(3)5-7(2)6-10(11)14-13(9)16/h5-6H,4H2,1-3H3,(H2,14,15,16)
InChIKeyBMDLYMLRGRZGPA-UHFFFAOYSA-N
XLogP2.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-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 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one (CID 54725926) is 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one is CCc1c(O)c2c(C)cc(C)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one?
The InChIKey is BMDLYMLRGRZGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-9-12(15)11-8(3)5-7(2)6-10(11)14-13(9)16/h5-6H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one?
3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 54725926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).