1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one

C16H14N2OS — CID 14043337

IUPAC1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one
SMILESCCn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C16H14N2OS/c1-2-17-14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyWIBYTSRPDXENTN-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.54
Rot. Bonds2

About 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one

1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one (PubChem CID 14043337) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one
PubChem CID14043337
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one
SMILESCCn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C16H14N2OS/c1-2-17-14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyWIBYTSRPDXENTN-UHFFFAOYSA-N
XLogP3.54
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[2-(4-oxo-3-phenyl-2-sulfanylidenequinazolin-1-yl)acetyl]amino]benzoate
CID 163322958
7-ethyl-5-phenylindolo[2,3-b]carbazole
CID 139441502
1-ethyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 12957684
N-(4-ethoxyphenyl)-N-[[3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidenequinazolin-1-yl]methyl]acetamide
CID 53344617
1-amino-3-ethylbenzimidazole-2-thione
CID 827917
1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
CID 22449673
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
9-amino-5-ethylphenanthridin-6-one
CID 10399308

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one?
The IUPAC name of 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one (CID 14043337) is 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one.
What is the SMILES notation for 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one?
The canonical SMILES for 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one is CCn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one?
The InChIKey is WIBYTSRPDXENTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-17-14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one?
1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one is sourced from PubChem (CID 14043337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).