ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate

C18H15FN2O2S — CID 865078

IUPACethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C18H15FN2O2S/c1-2-23-16(22)11-24-18-14-10-13(19)8-9-15(14)20-17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyCFIRJSLELXCDRH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.09
Rot. Bonds5

About ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate

ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate (PubChem CID 865078) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate
PubChem CID865078
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Nameethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C18H15FN2O2S/c1-2-23-16(22)11-24-18-14-10-13(19)8-9-15(14)20-17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyCFIRJSLELXCDRH-UHFFFAOYSA-N
XLogP4.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate (CID 865078) is ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate is CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate?
The InChIKey is CFIRJSLELXCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-2-23-16(22)11-24-18-14-10-13(19)8-9-15(14)20-17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate?
ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate has a molecular weight of 342.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetate is sourced from PubChem (CID 865078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).