3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

C12H10N2O2S — CID 3447676

IUPAC3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccs2)N1O
InChIInChI=1S/C12H10N2O2S/c15-12-8-4-1-2-5-9(8)13-11(14(12)16)10-6-3-7-17-10/h1-7,11,13,16H
InChIKeyOVWQPDCULUSUTF-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.70
Rot. Bonds1

About 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one

3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 3447676) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID3447676
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccs2)N1O
InChIInChI=1S/C12H10N2O2S/c15-12-8-4-1-2-5-9(8)13-11(14(12)16)10-6-3-7-17-10/h1-7,11,13,16H
InChIKeyOVWQPDCULUSUTF-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one (CID 3447676) is 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccs2)N1O.
What is the InChIKey of 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is OVWQPDCULUSUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-12-8-4-1-2-5-9(8)13-11(14(12)16)10-6-3-7-17-10/h1-7,11,13,16H.
What are the key properties of 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 246.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3447676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).