3-acetyl-1-benzyl-4-hydroxyquinolin-2-one

C18H15NO3 — CID 54683807

IUPAC3-acetyl-1-benzyl-4-hydroxyquinolin-2-one
SMILESCC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H15NO3/c1-12(20)16-17(21)14-9-5-6-10-15(14)19(18(16)22)11-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3
InChIKeyYTZYNMVQGCZKCI-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.96
Rot. Bonds3

About 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one

3-acetyl-1-benzyl-4-hydroxyquinolin-2-one (PubChem CID 54683807) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-1-benzyl-4-hydroxyquinolin-2-one
PubChem CID54683807
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-acetyl-1-benzyl-4-hydroxyquinolin-2-one
SMILESCC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H15NO3/c1-12(20)16-17(21)14-9-5-6-10-15(14)19(18(16)22)11-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3
InChIKeyYTZYNMVQGCZKCI-UHFFFAOYSA-N
XLogP2.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-1-benzyl-4-hydroxyquinolin-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-acetyl-1-benzyl-4-hydroxyquinolin-2-one?
The IUPAC name of 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one (CID 54683807) is 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one is CC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one?
The InChIKey is YTZYNMVQGCZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)16-17(21)14-9-5-6-10-15(14)19(18(16)22)11-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3.
What are the key properties of 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one?
3-acetyl-1-benzyl-4-hydroxyquinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54683807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).