Basic information
- Standard SMILES
CC1(C)Cc2cccc3c(C4=C(c5ccc6c7c5ccn7CC(C(=O)OC(C)(C)C)NC6)C(=O)NC4=O)cn(c23)C1- InChIKey
RSOVSPUSMXDZIM-UHFFFAOYSA-N- Molecular formula
- C33H34N4O4
- Average molar mass
- 550.6 g/mol
Names & identifiers
- Preferred name
- 7-[4-(5,5-Dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3,4-dihydro-1H-[1,4]diazepino[6,7,1-hi]indole-2-Carboxylic Acid Tert-Butyl Ester
- IUPAC
- tert-butyl 5-[4-(10,10-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2,5-dioxopyrrol-3-yl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-11-carboxylate
Names & synonyms
SCHEMBL6799178RSOVSPUSMXDZIM-UHFFFAOYSA-N7-[4-(5,5-Dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3,4-dihydro-1H-[1,4]diazepino[6,7,1-hi]indole-2-Carboxylic Acid Tert-Butyl Ester
Database identifiers
- PubChem CID
- 69899232
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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