ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate

C14H16N2O2S — CID 916352

IUPACethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(C)c2cccc(C)c2n1
InChIInChI=1S/C14H16N2O2S/c1-4-18-12(17)8-19-14-15-10(3)11-7-5-6-9(2)13(11)16-14/h5-7H,4,8H2,1-3H3
InChIKeyIRYOFRAXAIMIPP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.90
Rot. Bonds4

About ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate

ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate (PubChem CID 916352) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
PubChem CID916352
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(C)c2cccc(C)c2n1
InChIInChI=1S/C14H16N2O2S/c1-4-18-12(17)8-19-14-15-10(3)11-7-5-6-9(2)13(11)16-14/h5-7H,4,8H2,1-3H3
InChIKeyIRYOFRAXAIMIPP-UHFFFAOYSA-N
XLogP2.90
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate 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 ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate (CID 916352) is ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(C)c2cccc(C)c2n1.
What is the InChIKey of ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate?
The InChIKey is IRYOFRAXAIMIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-12(17)8-19-14-15-10(3)11-7-5-6-9(2)13(11)16-14/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate?
ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate has a molecular weight of 276.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 916352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).