Basic information
- Standard SMILES
Cl.O=C(CCC1CCN(CCc2ccccc2Cl)CC1)c1cc2c3c(c1)CCN3C(=O)CC2- InChIKey
FFLSVOBISRTTHC-UHFFFAOYSA-N- Molecular formula
- C27H32Cl2N2O2
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 486.1840837
Names & identifiers
- Preferred name
- 8-(3-{1-[2-(2-Chlorophenyl)ethyl]-4-piperidinyl}propanoyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2, 1-ij]quinolin-4-one hydrochloride
- IUPAC
- 6-[3-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;hydrochloride
Names & synonyms
SCHEMBL4861796FFLSVOBISRTTHC-UHFFFAOYSA-N8-(3-{1-[2-(2-Chlorophenyl)ethyl]-4-piperidinyl}propanoyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2, 1-ij]quinolin-4-one hydrochloride8-(3-{1-[2-(2-Chlorophenyl)ethyl]-4-piperidinyl}propanoyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one hydrochloride
Database identifiers
- PubChem CID
- 21887350
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Related reactions
3 records
Compound notes
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