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Basic information
- Standard SMILES
CC(C)n1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)cccc2c1=O- InChIKey
OJACGGVADSBVKM-GFCCVEGCSA-N- Molecular formula
- C22H27N5O2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.21647512
Names & identifiers
- Preferred name
- (R)-2-(tert-butylamino)-3-isopropyl-8-(6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl)quinazolin-4(3H)-one
- IUPAC
- 2-(tert-butylamino)-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]-3-propan-2-ylquinazolin-4-one
Names & synonyms
CHEMBL3940091SCHEMBL15232118OJACGGVADSBVKM-GFCCVEGCSA-NBDBM238725US9394297, 406(R)-2-(tert-butylamino)-3-isopropyl-8-(6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl)quinazolin-4(3H)-one
Database identifiers
- PubChem CID
- 89784686
- ChEMBL
CHEMBL3940091
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 712
Related reactions
1 records
Compound notes
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