N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)propionamide
Basic information
- CAS
898435-23-9- Standard SMILES
CCC(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2- InChIKey
ZLLYSKLTRBRIIK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)propionamide
- IUPAC
- N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide
Names & synonyms
898435-23-9N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)propionamideN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamideN-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}propanamideMLS001167807F2664-0040CHEMBL1609826DTXSID301323254HMS1657F17HMS2959C17AKOS024668045SMR000641664
Show more names
N-(4-Oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)propanamide
Database identifiers
- CAS
898435-23-9- PubChem CID
- 7526296
- DTXSID
DTXSID301323254- ChEMBL
CHEMBL1609826
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
Solubility35.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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