Basic information
- CAS
333407-77-5- Standard SMILES
Cc1ccc2cc(C3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc2c1- InChIKey
TUUBVNTVUHTJKS-UHFFFAOYSA-N- Molecular formula
- C20H18ClN3OS
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.0859111
Names & identifiers
- Preferred name
- 2-(2-chloro-7-methylquinolin-3-yl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 2-(2-chloro-7-methylquinolin-3-yl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-(2-chloro-7-methyl-3-quinolinyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- Molecular formula
- C20H18ClN3OS
- Molecular weight
- 383.89442
Names & synonyms
Oprea1_446805Oprea1_813275AKOS000589229AKOS0243057402-(2-chloro-7-methylquinolin-3-yl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-oneST50264994AG-690/407537792-(2-chloro-7-methyl-3-quinolinyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one2-(2-chloro-7-methyl-3-quinolyl)-1,2,3,5,6,7,8-heptahydrobenzo[b]thiopheno[2,3 -d]pyrimidin-4-one
Database identifiers
- CAS
333407-77-5- PubChem CID
- 3142106
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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