2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one

C15H11N3OS — CID 81147875

IUPAC2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(-c3cnc4ccsc4c3)ncc21
InChIInChI=1S/C15H11N3OS/c19-13-3-1-2-11-10(13)8-17-15(18-11)9-6-14-12(16-7-9)4-5-20-14/h4-8H,1-3H2
InChIKeyWIUBIJCSWNZQSZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.27
Rot. Bonds1

About 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one

2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 81147875) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID81147875
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(-c3cnc4ccsc4c3)ncc21
InChIInChI=1S/C15H11N3OS/c19-13-3-1-2-11-10(13)8-17-15(18-11)9-6-14-12(16-7-9)4-5-20-14/h4-8H,1-3H2
InChIKeyWIUBIJCSWNZQSZ-UHFFFAOYSA-N
XLogP3.27
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one (CID 81147875) is 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(-c3cnc4ccsc4c3)ncc21.
What is the InChIKey of 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is WIUBIJCSWNZQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-13-3-1-2-11-10(13)8-17-15(18-11)9-6-14-12(16-7-9)4-5-20-14/h4-8H,1-3H2.
What are the key properties of 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one?
2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 281.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]pyridin-6-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 81147875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).