ethane;4-hydroxy-1,3-dimethylquinolin-2-one

C13H17NO2 — CID 91565927

IUPACethane;4-hydroxy-1,3-dimethylquinolin-2-one
SMILESCC.Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C11H11NO2.C2H6/c1-7-10(13)8-5-3-4-6-9(8)12(2)11(7)14;1-2/h3-6,13H,1-2H3;1-2H3
InChIKeyIDLMVKSHYIIYIO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.58
Rot. Bonds

About ethane;4-hydroxy-1,3-dimethylquinolin-2-one

ethane;4-hydroxy-1,3-dimethylquinolin-2-one (PubChem CID 91565927) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane;4-hydroxy-1,3-dimethylquinolin-2-one.

Molecular Properties

Compound Nameethane;4-hydroxy-1,3-dimethylquinolin-2-one
PubChem CID91565927
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethane;4-hydroxy-1,3-dimethylquinolin-2-one
SMILESCC.Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C11H11NO2.C2H6/c1-7-10(13)8-5-3-4-6-9(8)12(2)11(7)14;1-2/h3-6,13H,1-2H3;1-2H3
InChIKeyIDLMVKSHYIIYIO-UHFFFAOYSA-N
XLogP2.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-hydroxy-1,3-dimethylquinolin-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

Related Compounds

3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
3-tert-butylsulfonyl-4-hydroxy-1-methylquinolin-2-one
CID 54699342
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
4-hydroxy-3,6-dimethylpyrano[3,2-c]quinoline-2,5-dione
CID 110273333
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
1,3-dimethyl-4-phenoxyquinolin-2-one
CID 151532277
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-1,3-dimethylquinolin-2-one?
The IUPAC name of ethane;4-hydroxy-1,3-dimethylquinolin-2-one (CID 91565927) is ethane;4-hydroxy-1,3-dimethylquinolin-2-one.
What is the SMILES notation for ethane;4-hydroxy-1,3-dimethylquinolin-2-one?
The canonical SMILES for ethane;4-hydroxy-1,3-dimethylquinolin-2-one is CC.Cc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of ethane;4-hydroxy-1,3-dimethylquinolin-2-one?
The InChIKey is IDLMVKSHYIIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-7-10(13)8-5-3-4-6-9(8)12(2)11(7)14;1-2/h3-6,13H,1-2H3;1-2H3.
What are the key properties of ethane;4-hydroxy-1,3-dimethylquinolin-2-one?
ethane;4-hydroxy-1,3-dimethylquinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-1,3-dimethylquinolin-2-one is sourced from PubChem (CID 91565927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).