2-butyl-9b-(1-butyl-2,5-dioxopyrrolidin-3-yl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
Basic information
- CAS
40120-07-8- Standard SMILES
CCCCN1C(=O)CC(C23C(=O)N(CCCC)C(=O)C2CCc2ncccc23)C1=O- InChIKey
FPUUZOGGFATTSK-UHFFFAOYSA-N- Molecular formula
- C23H29N3O4
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.21580641
Names & identifiers
- Preferred name
- 2-butyl-9b-(1-butyl-2,5-dioxopyrrolidin-3-yl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
- IUPAC
- 2-butyl-9b-(1-butyl-2,5-dioxopyrrolidin-3-yl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dione
Names & synonyms
40120-07-8NSC1599302-butyl-9b-(1-butyl-2,5-dioxopyrrolidin-3-yl)-4,5-dihydro-3aH-pyrrolo[3,4-f]quinoline-1,3-dioneDTXSID00329809NSC-1599302-Butyl-9b-(1-butyl-2,5-dioxopyrrolidin-3-yl)-3a,4,5,9b-tetrahydro-1H-pyrrolo[3,4-f]quinoline-1,3(2H)-dione
Database identifiers
- CAS
40120-07-8- PubChem CID
- 423987
- DTXSID
DTXSID00329809
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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