6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

C15H9N3O2S — CID 146333407

IUPAC6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(O)cc12
InChIInChI=1S/C15H9N3O2S/c19-9-1-2-11-10(5-9)15(20)18-14(17-11)12-6-13-8(7-16-12)3-4-21-13/h1-7,19H,(H,17,18,20)
InChIKeyAHFVQBBIWCXVTD-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.91
Rot. Bonds1

About 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (PubChem CID 146333407) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
PubChem CID146333407
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(O)cc12
InChIInChI=1S/C15H9N3O2S/c19-9-1-2-11-10(5-9)15(20)18-14(17-11)12-6-13-8(7-16-12)3-4-21-13/h1-7,19H,(H,17,18,20)
InChIKeyAHFVQBBIWCXVTD-UHFFFAOYSA-N
XLogP2.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The IUPAC name of 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (CID 146333407) is 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The InChIKey is AHFVQBBIWCXVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c19-9-1-2-11-10(5-9)15(20)18-14(17-11)12-6-13-8(7-16-12)3-4-21-13/h1-7,19H,(H,17,18,20).
What are the key properties of 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one has a molecular weight of 295.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146333407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).