(8-fluoro-2,3-dimethylquinolin-4-yl) acetate

C13H12FNO2 — CID 57303796

IUPAC(8-fluoro-2,3-dimethylquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(C)c(C)nc2c(F)cccc12
InChIInChI=1S/C13H12FNO2/c1-7-8(2)15-12-10(5-4-6-11(12)14)13(7)17-9(3)16/h4-6H,1-3H3
InChIKeyJKRIRDZTEAZXAY-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.92
Rot. Bonds1

About (8-fluoro-2,3-dimethylquinolin-4-yl) acetate

(8-fluoro-2,3-dimethylquinolin-4-yl) acetate (PubChem CID 57303796) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is (8-fluoro-2,3-dimethylquinolin-4-yl) acetate.

Molecular Properties

Compound Name(8-fluoro-2,3-dimethylquinolin-4-yl) acetate
PubChem CID57303796
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name(8-fluoro-2,3-dimethylquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(C)c(C)nc2c(F)cccc12
InChIInChI=1S/C13H12FNO2/c1-7-8(2)15-12-10(5-4-6-11(12)14)13(7)17-9(3)16/h4-6H,1-3H3
InChIKeyJKRIRDZTEAZXAY-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8-fluoro-2,3-dimethylquinolin-4-yl) acetate 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 (8-fluoro-2,3-dimethylquinolin-4-yl) acetate?
The IUPAC name of (8-fluoro-2,3-dimethylquinolin-4-yl) acetate (CID 57303796) is (8-fluoro-2,3-dimethylquinolin-4-yl) acetate.
What is the SMILES notation for (8-fluoro-2,3-dimethylquinolin-4-yl) acetate?
The canonical SMILES for (8-fluoro-2,3-dimethylquinolin-4-yl) acetate is CC(=O)Oc1c(C)c(C)nc2c(F)cccc12.
What is the InChIKey of (8-fluoro-2,3-dimethylquinolin-4-yl) acetate?
The InChIKey is JKRIRDZTEAZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-7-8(2)15-12-10(5-4-6-11(12)14)13(7)17-9(3)16/h4-6H,1-3H3.
What are the key properties of (8-fluoro-2,3-dimethylquinolin-4-yl) acetate?
(8-fluoro-2,3-dimethylquinolin-4-yl) acetate has a molecular weight of 233.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-2,3-dimethylquinolin-4-yl) acetate is sourced from PubChem (CID 57303796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).