Basic information
- CAS
142471-56-5- Standard SMILES
COc1c2c(nc3ccccc13)CN(CCC1CCN(Cc3ccccc3)CC1)C2=O- InChIKey
UQMVECQBCVBXGA-UHFFFAOYSA-N- Molecular formula
- C26H29N3O2
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.22597718
Names & identifiers
- Preferred name
- 1H-Pyrrolo(3,4-b)quinolin-1-one, 2,3-dihydro-9-methoxy-2-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-
- IUPAC
- 2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-3H-pyrrolo[3,4-b]quinolin-1-one
Names & synonyms
T-82 free base142471-56-50ZY2ZG924T1H-Pyrrolo(3,4-b)quinolin-1-one, 2,3-dihydro-9-methoxy-2-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-UNII-0ZY2ZG924TSCHEMBL195472DTXSID401620502,3-DIHYDRO-9-METHOXY-2-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-1H-PYRROLO(3,4-B)QUINOLIN-1-ONE2-[2-(1-Benzylpiperidin-4-yl)ethyl]-9-methoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
Database identifiers
- CAS
142471-56-5- PubChem CID
- 178654
- DTXSID
DTXSID40162050- UNII
- 0ZY2ZG924T
- Nikkaji
- J1.696.325I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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