3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one

C17H11N3OS — CID 702514

IUPAC3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cccs2)n1-c1ccccn1
InChIInChI=1S/C17H11N3OS/c21-17-12-6-1-2-7-13(12)19-16(14-8-5-11-22-14)20(17)15-9-3-4-10-18-15/h1-11H
InChIKeyRYTBPYNJWZBJPQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.51
Rot. Bonds2

About 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one

3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one (PubChem CID 702514) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one
PubChem CID702514
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cccs2)n1-c1ccccn1
InChIInChI=1S/C17H11N3OS/c21-17-12-6-1-2-7-13(12)19-16(14-8-5-11-22-14)20(17)15-9-3-4-10-18-15/h1-11H
InChIKeyRYTBPYNJWZBJPQ-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-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-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one?
The IUPAC name of 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one (CID 702514) is 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one.
What is the SMILES notation for 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one?
The canonical SMILES for 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one is O=c1c2ccccc2nc(-c2cccs2)n1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one?
The InChIKey is RYTBPYNJWZBJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-17-12-6-1-2-7-13(12)19-16(14-8-5-11-22-14)20(17)15-9-3-4-10-18-15/h1-11H.
What are the key properties of 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one?
3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one is sourced from PubChem (CID 702514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).