ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate

C12H11FN2O2S — CID 79357528

IUPACethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate
SMILESCCOC(=O)C(F)Sc1ncnc2ccccc12
InChIInChI=1S/C12H11FN2O2S/c1-2-17-12(16)10(13)18-11-8-5-3-4-6-9(8)14-7-15-11/h3-7,10H,2H2,1H3
InChIKeySGMBDQXSKSVQSB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.58
Rot. Bonds4

About ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate

ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate (PubChem CID 79357528) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate
PubChem CID79357528
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Nameethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate
SMILESCCOC(=O)C(F)Sc1ncnc2ccccc12
InChIInChI=1S/C12H11FN2O2S/c1-2-17-12(16)10(13)18-11-8-5-3-4-6-9(8)14-7-15-11/h3-7,10H,2H2,1H3
InChIKeySGMBDQXSKSVQSB-UHFFFAOYSA-N
XLogP2.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate (CID 79357528) is ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate is CCOC(=O)C(F)Sc1ncnc2ccccc12.
What is the InChIKey of ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate?
The InChIKey is SGMBDQXSKSVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-17-12(16)10(13)18-11-8-5-3-4-6-9(8)14-7-15-11/h3-7,10H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate?
ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate has a molecular weight of 266.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-quinazolin-4-ylsulfanylacetate is sourced from PubChem (CID 79357528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).