3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one

C18H16N2O2S — CID 23799960

IUPAC3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one
SMILESCCn1c(C(=O)CSc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O2S/c1-2-20-17(16(21)12-23-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18(20)22/h3-11H,2,12H2,1H3
InChIKeySCIMIJNQVZAJHP-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.39
Rot. Bonds5

About 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one

3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one (PubChem CID 23799960) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one
PubChem CID23799960
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one
SMILESCCn1c(C(=O)CSc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O2S/c1-2-20-17(16(21)12-23-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18(20)22/h3-11H,2,12H2,1H3
InChIKeySCIMIJNQVZAJHP-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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Related Compounds

2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 7558965
3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8675671
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4813760
4-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoic acid
CID 45471479
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972
3-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 110005199
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
3-ethyl-4-oxoquinazoline-2-carbonitrile
CID 10655605
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 23832964
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one?
The IUPAC name of 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one (CID 23799960) is 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one is CCn1c(C(=O)CSc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one?
The InChIKey is SCIMIJNQVZAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-20-17(16(21)12-23-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18(20)22/h3-11H,2,12H2,1H3.
What are the key properties of 3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one?
3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-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-(2-phenylsulfanylacetyl)quinazolin-4-one is sourced from PubChem (CID 23799960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).