3-ethyl-2-phenacylsulfanylquinazolin-4-one

C18H16N2O2S — CID 711014

IUPAC3-ethyl-2-phenacylsulfanylquinazolin-4-one
SMILESCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O2S/c1-2-20-17(22)14-10-6-7-11-15(14)19-18(20)23-12-16(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyOUARGWHLHCISLQ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.39
Rot. Bonds5

About 3-ethyl-2-phenacylsulfanylquinazolin-4-one

3-ethyl-2-phenacylsulfanylquinazolin-4-one (PubChem CID 711014) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-ethyl-2-phenacylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-phenacylsulfanylquinazolin-4-one
PubChem CID711014
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-ethyl-2-phenacylsulfanylquinazolin-4-one
SMILESCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O2S/c1-2-20-17(22)14-10-6-7-11-15(14)19-18(20)23-12-16(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyOUARGWHLHCISLQ-UHFFFAOYSA-N
XLogP3.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenacylsulfanylquinazolin-4-one?
The IUPAC name of 3-ethyl-2-phenacylsulfanylquinazolin-4-one (CID 711014) is 3-ethyl-2-phenacylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-phenacylsulfanylquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-phenacylsulfanylquinazolin-4-one is CCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-phenacylsulfanylquinazolin-4-one?
The InChIKey is OUARGWHLHCISLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-20-17(22)14-10-6-7-11-15(14)19-18(20)23-12-16(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 3-ethyl-2-phenacylsulfanylquinazolin-4-one?
3-ethyl-2-phenacylsulfanylquinazolin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenacylsulfanylquinazolin-4-one is sourced from PubChem (CID 711014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).