2-(4-Methyl-pyridin-3-yl)-3,4-dihydro-2H-benzo[4,5]thieno[3,2-c]pyridin-1-one

HCID 56940971
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccncc1N1CCc2sc3ccccc3c2C1=O
InChIKey
KJNWSJSISDSMFY-UHFFFAOYSA-N
Molecular formula
C17H14N2OS
Average molar mass
294.4 g/mol
Monoisotopic mass
294.08268425

Names & identifiers

Preferred name
2-(4-Methyl-pyridin-3-yl)-3,4-dihydro-2H-benzo[4,5]thieno[3,2-c]pyridin-1-one
IUPAC
2-(4-methyl-3-pyridinyl)-3,4-dihydro-[1]benzothiolo[3,2-c]pyridin-1-one

Names & synonyms

SCHEMBL794339KJNWSJSISDSMFY-UHFFFAOYSA-N2-(4-Methyl-pyridin-3-yl)-3,4-dihydro-2H-benzo[4,5]thieno[3,2-c]pyridin-1-one

Database identifiers

PubChem CID
56940971

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
61.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

Loading…