2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C12H10N2OS — CID 62008259

IUPAC2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(-c3cccs3)ncc21
InChIInChI=1S/C12H10N2OS/c15-10-4-1-3-9-8(10)7-13-12(14-9)11-5-2-6-16-11/h2,5-7H,1,3-4H2
InChIKeyLLNNTBXLSLLXOT-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.72
Rot. Bonds1

About 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 62008259) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID62008259
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(-c3cccs3)ncc21
InChIInChI=1S/C12H10N2OS/c15-10-4-1-3-9-8(10)7-13-12(14-9)11-5-2-6-16-11/h2,5-7H,1,3-4H2
InChIKeyLLNNTBXLSLLXOT-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one 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-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 62008259) is 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(-c3cccs3)ncc21.
What is the InChIKey of 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LLNNTBXLSLLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-10-4-1-3-9-8(10)7-13-12(14-9)11-5-2-6-16-11/h2,5-7H,1,3-4H2.
What are the key properties of 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 230.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 62008259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).