2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide

C18H16FN3O2S — CID 981687

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16FN3O2S/c1-2-22-17(24)14-5-3-4-6-15(14)21-18(22)25-11-16(23)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyRBTUJGRBLKYPKE-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.29
Rot. Bonds5

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 981687) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID981687
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16FN3O2S/c1-2-22-17(24)14-5-3-4-6-15(14)21-18(22)25-11-16(23)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyRBTUJGRBLKYPKE-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide (CID 981687) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide is CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is RBTUJGRBLKYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-22-17(24)14-5-3-4-6-15(14)21-18(22)25-11-16(23)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,23).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).