6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one

C17H10F3N3O2S — CID 153396894

IUPAC6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc2cc1C(F)(F)F
InChIInChI=1S/C17H10F3N3O2S/c1-25-13-5-9-11(6-10(13)17(18,19)20)22-15(23-16(9)24)12-4-8-2-3-26-14(8)7-21-12/h2-7H,1H3,(H,22,23,24)
InChIKeyPMBZYVSDWJLCOK-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.23
Rot. Bonds2

About 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one

6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 153396894) has the molecular formula C17H10F3N3O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID153396894
Molecular FormulaC17H10F3N3O2S
Molecular Weight377.35 g/mol
Exact Mass377.04
IUPAC Name6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc2cc1C(F)(F)F
InChIInChI=1S/C17H10F3N3O2S/c1-25-13-5-9-11(6-10(13)17(18,19)20)22-15(23-16(9)24)12-4-8-2-3-26-14(8)7-21-12/h2-7H,1H3,(H,22,23,24)
InChIKeyPMBZYVSDWJLCOK-UHFFFAOYSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one (CID 153396894) is 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one is COc1cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc2cc1C(F)(F)F.
What is the InChIKey of 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is PMBZYVSDWJLCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S/c1-25-13-5-9-11(6-10(13)17(18,19)20)22-15(23-16(9)24)12-4-8-2-3-26-14(8)7-21-12/h2-7H,1H3,(H,22,23,24).
What are the key properties of 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one?
6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 377.35 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 153396894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).