N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)-3-phenylpropanamide
Basic information
- CAS
898427-54-8- Standard SMILES
O=C(CCc1ccccc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2- InChIKey
PDNFTHVXWSESMB-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)-3-phenylpropanamide
- IUPAC
- N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-phenylpropanamide
Names & synonyms
898427-54-8N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)-3-phenylpropanamideN-{2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-7-yl}-3-phenylpropanamideN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-phenylpropanamideMLS000879216F2668-0063CHEMBL1869197DTXSID601328665HMS3025N15AKOS024668573SMR000812189AB00680812-01
Show more names
N-(3-oxo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)-3-phenylpropanamide
Database identifiers
- CAS
898427-54-8- PubChem CID
- 7526993
- DTXSID
DTXSID601328665- ChEMBL
CHEMBL1869197
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
Experimental & physicochemical properties
Solubility40.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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