Basic information
- CAS
735256-31-2- Standard SMILES
CN1CCN(c2nccc3cc4c(cc23)N(C(=O)c2cccc3ncccc23)CC4)CC1- InChIKey
WBFASLOAEQLKGO-UHFFFAOYSA-N- Molecular formula
- C26H25N5O
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.20591044
Names & identifiers
- Preferred name
- [2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
- IUPAC
- [8-(4-methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl]-quinolin-5-ylmethanone
Names & synonyms
CHEMBL370625SCHEMBL6181479DTXSID601116222BDBM50410437[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone735256-31-2[8-(4-Methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-g]isoquinolin-1-yl](quinolin-5-yl)methanone
Database identifiers
- CAS
735256-31-2- PubChem CID
- 44404241
- DTXSID
DTXSID601116222- ChEMBL
CHEMBL370625
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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