8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

C21H19N3O3S — CID 146308691

IUPAC8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(OCC2CCOC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C21H19N3O3S/c1-12-6-15(27-11-13-2-4-26-10-13)8-16-19(12)23-20(24-21(16)25)17-7-14-3-5-28-18(14)9-22-17/h3,5-9,13H,2,4,10-11H2,1H3,(H,23,24,25)
InChIKeyXELBHIIKNGORPJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.92
Rot. Bonds4

About 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (PubChem CID 146308691) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
PubChem CID146308691
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(OCC2CCOC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C21H19N3O3S/c1-12-6-15(27-11-13-2-4-26-10-13)8-16-19(12)23-20(24-21(16)25)17-7-14-3-5-28-18(14)9-22-17/h3,5-9,13H,2,4,10-11H2,1H3,(H,23,24,25)
InChIKeyXELBHIIKNGORPJ-UHFFFAOYSA-N
XLogP3.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (CID 146308691) is 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is Cc1cc(OCC2CCOC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The InChIKey is XELBHIIKNGORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-12-6-15(27-11-13-2-4-26-10-13)8-16-19(12)23-20(24-21(16)25)17-7-14-3-5-28-18(14)9-22-17/h3,5-9,13H,2,4,10-11H2,1H3,(H,23,24,25).
What are the key properties of 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one has a molecular weight of 393.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).