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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Related Compounds

2-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 62008259
2-thiophen-3-yl-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384720
2-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009261
6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
CID 114740551
2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 81143321
N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81148282
2-(3-bromo-4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 82801471
(2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81424689
2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009055
2-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 62008267
2-(4-bromo-3,5-dimethylphenyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384711
2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 62096504

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).