3-acetyl-4-hydroxy-1-propylquinolin-2-one

C14H15NO3 — CID 54711259

IUPAC3-acetyl-4-hydroxy-1-propylquinolin-2-one
SMILESCCCn1c(=O)c(C(C)=O)c(O)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-3-8-15-11-7-5-4-6-10(11)13(17)12(9(2)16)14(15)18/h4-7,17H,3,8H2,1-2H3
InChIKeyBOGDAGBQWPXTBY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds3

About 3-acetyl-4-hydroxy-1-propylquinolin-2-one

3-acetyl-4-hydroxy-1-propylquinolin-2-one (PubChem CID 54711259) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-propylquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-propylquinolin-2-one
PubChem CID54711259
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-acetyl-4-hydroxy-1-propylquinolin-2-one
SMILESCCCn1c(=O)c(C(C)=O)c(O)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-3-8-15-11-7-5-4-6-10(11)13(17)12(9(2)16)14(15)18/h4-7,17H,3,8H2,1-2H3
InChIKeyBOGDAGBQWPXTBY-UHFFFAOYSA-N
XLogP2.32
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-4-hydroxy-1-propylquinolin-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

N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
2-hydroxyethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium
CID 54697176
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-propylquinolin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-propylquinolin-2-one (CID 54711259) is 3-acetyl-4-hydroxy-1-propylquinolin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-propylquinolin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-propylquinolin-2-one is CCCn1c(=O)c(C(C)=O)c(O)c2ccccc21.
What is the InChIKey of 3-acetyl-4-hydroxy-1-propylquinolin-2-one?
The InChIKey is BOGDAGBQWPXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-8-15-11-7-5-4-6-10(11)13(17)12(9(2)16)14(15)18/h4-7,17H,3,8H2,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-1-propylquinolin-2-one?
3-acetyl-4-hydroxy-1-propylquinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-propylquinolin-2-one is sourced from PubChem (CID 54711259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).