Basic information
- Standard SMILES
CCn1c(NC2(C)CC2)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c(F)ccc2c1=O- InChIKey
DVKOJQHRIKGCMQ-SNVBAGLBSA-N- Molecular formula
- C21H22FN5O2
- Average molar mass
- 395.4 g/mol
Names & identifiers
- Preferred name
- (R)-3-ethyl-7-fluoro-8-(6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3H)-one
- IUPAC
- 3-ethyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one
Names & synonyms
CHEMBL3895124SCHEMBL15244121DVKOJQHRIKGCMQ-SNVBAGLBSA-NBDBM238826US9394297, 513(R)-3-ethyl-7-fluoro-8-(6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3H)-one
Database identifiers
- PubChem CID
- 89793983
- ChEMBL
CHEMBL3895124
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
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