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

C13H13NO2 — CID 175492978

IUPAC(3,4-dimethylquinolin-2-yl) acetate
SMILESCC(=O)Oc1nc2ccccc2c(C)c1C
InChIInChI=1S/C13H13NO2/c1-8-9(2)13(16-10(3)15)14-12-7-5-4-6-11(8)12/h4-7H,1-3H3
InChIKeyTUNATUQTOHYFKF-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.78
Rot. Bonds1

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

(3,4-dimethylquinolin-2-yl) acetate (PubChem CID 175492978) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3,4-dimethylquinolin-2-yl) acetate.

Molecular Properties

Compound Name(3,4-dimethylquinolin-2-yl) acetate
PubChem CID175492978
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3,4-dimethylquinolin-2-yl) acetate
SMILESCC(=O)Oc1nc2ccccc2c(C)c1C
InChIInChI=1S/C13H13NO2/c1-8-9(2)13(16-10(3)15)14-12-7-5-4-6-11(8)12/h4-7H,1-3H3
InChIKeyTUNATUQTOHYFKF-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethylquinolin-2-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

Related Compounds

(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
CID 134989412
2,1-benzoxazol-3-yl acetate
CID 101000807
[3-methyl-2-[(E)-non-1-enyl]quinolin-4-yl] acetate
CID 15007050
diethyl 4-acetyloxyquinoline-2,3-dicarboxylate
CID 132505447
acridin-9-yl hydrogen carbonate
CID 54493221
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
(2-methylimidazo[1,2-c]quinazolin-3-yl) acetate
CID 730766
3-oxobutan-2-yl 2,4-dimethylquinoline-3-carboxylate
CID 18276143
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
(8-fluoro-2,3-dimethylquinolin-4-yl) acetate
CID 57303796

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylquinolin-2-yl) acetate?
The IUPAC name of (3,4-dimethylquinolin-2-yl) acetate (CID 175492978) is (3,4-dimethylquinolin-2-yl) acetate.
What is the SMILES notation for (3,4-dimethylquinolin-2-yl) acetate?
The canonical SMILES for (3,4-dimethylquinolin-2-yl) acetate is CC(=O)Oc1nc2ccccc2c(C)c1C.
What is the InChIKey of (3,4-dimethylquinolin-2-yl) acetate?
The InChIKey is TUNATUQTOHYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-9(2)13(16-10(3)15)14-12-7-5-4-6-11(8)12/h4-7H,1-3H3.
What are the key properties of (3,4-dimethylquinolin-2-yl) acetate?
(3,4-dimethylquinolin-2-yl) acetate has a molecular weight of 215.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylquinolin-2-yl) acetate is sourced from PubChem (CID 175492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).