ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate

C14H16N2O2S — CID 654420

IUPACethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(CC)nc2ccccc12
InChIInChI=1S/C14H16N2O2S/c1-3-12-15-11-8-6-5-7-10(11)14(16-12)19-9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyGYWWQCMUVOLXSR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.85
Rot. Bonds5

About ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate

ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate (PubChem CID 654420) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate
PubChem CID654420
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(CC)nc2ccccc12
InChIInChI=1S/C14H16N2O2S/c1-3-12-15-11-8-6-5-7-10(11)14(16-12)19-9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyGYWWQCMUVOLXSR-UHFFFAOYSA-N
XLogP2.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate (CID 654420) is ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate is CCOC(=O)CSc1nc(CC)nc2ccccc12.
What is the InChIKey of ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
The InChIKey is GYWWQCMUVOLXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-12-15-11-8-6-5-7-10(11)14(16-12)19-9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate has a molecular weight of 276.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate is sourced from PubChem (CID 654420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).