(6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite

C16H10FN3O2S2 — CID 153396880

IUPAC(6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite
SMILESCc1cc(O)cc2c(=O)n(SF)c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C16H10FN3O2S2/c1-8-4-10(21)6-11-14(8)19-15(20(24-17)16(11)22)12-5-9-2-3-23-13(9)7-18-12/h2-7,21H,1H3
InChIKeyADULCRCSCRJQEI-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.07
Rot. Bonds2

About (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite

(6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite (PubChem CID 153396880) has the molecular formula C16H10FN3O2S2 and a molecular weight of 359.41 g/mol. Its IUPAC name is (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite
PubChem CID153396880
Molecular FormulaC16H10FN3O2S2
Molecular Weight359.41 g/mol
Exact Mass359.02
IUPAC Name(6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite
SMILESCc1cc(O)cc2c(=O)n(SF)c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C16H10FN3O2S2/c1-8-4-10(21)6-11-14(8)19-15(20(24-17)16(11)22)12-5-9-2-3-23-13(9)7-18-12/h2-7,21H,1H3
InChIKeyADULCRCSCRJQEI-UHFFFAOYSA-N
XLogP4.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite?
The IUPAC name of (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite (CID 153396880) is (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite.
What is the SMILES notation for (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite?
The canonical SMILES for (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite is Cc1cc(O)cc2c(=O)n(SF)c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite?
The InChIKey is ADULCRCSCRJQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2S2/c1-8-4-10(21)6-11-14(8)19-15(20(24-17)16(11)22)12-5-9-2-3-23-13(9)7-18-12/h2-7,21H,1H3.
What are the key properties of (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite?
(6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite has a molecular weight of 359.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-8-methyl-4-oxo-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl) thiohypofluorite is sourced from PubChem (CID 153396880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).