Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(NCc1ccc(Cl)cc1)c1cn2c(CCCO)cc3cc(CN4CCOCC4)cc(c1=O)c32- InChIKey
AEKLHKRJHMWOJO-UHFFFAOYSA-N- Molecular formula
- C27H28ClN3O4
- Average molar mass
- 494 g/mol
Names & identifiers
- Preferred name
- N-(4-Chlorobenzyl)-2-(3-hydroxypropyl)-8-(4-morpholinylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
Names & synonyms
N-(4-Chlorobenzyl)-2-(3-hydroxypropyl)-8-(4-morpholinylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamideSCHEMBL6672185AEKLHKRJHMWOJO-UHFFFAOYSA-NN-[(4-chlorophenyl)methyl]-(3-hydroxypropyl)-(morpholinomethyl)-oxo-[?]carboxamide
Database identifiers
- PubChem CID
- 491963
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
Loading…