2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone

C18H16N2OS — CID 856964

IUPAC2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone
SMILESCCc1nc(SCC(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H16N2OS/c1-2-17-19-15-11-7-6-10-14(15)18(20-17)22-12-16(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyYTXANJCOXDMGAF-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.17
Rot. Bonds5

About 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone

2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone (PubChem CID 856964) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone
PubChem CID856964
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone
SMILESCCc1nc(SCC(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H16N2OS/c1-2-17-19-15-11-7-6-10-14(15)18(20-17)22-12-16(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyYTXANJCOXDMGAF-UHFFFAOYSA-N
XLogP4.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone 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-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone (CID 856964) is 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone is CCc1nc(SCC(=O)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone?
The InChIKey is YTXANJCOXDMGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-2-17-19-15-11-7-6-10-14(15)18(20-17)22-12-16(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone?
2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone has a molecular weight of 308.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 856964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).