3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one
Basic information
- CAS
5615-67-8- Standard SMILES
Cn1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O- InChIKey
XAUBQPCOYCKOAE-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.07284784
Names & identifiers
- Preferred name
- 3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one
- IUPAC
- 3-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one
Names & synonyms
5615-67-8ZINC04937317DTXSID70409622AKOS033905969Z241962183-Methyl-2-{[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Database identifiers
- CAS
5615-67-8- PubChem CID
- 5202633
- DTXSID
DTXSID70409622
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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