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Basic information
- CAS
281651-76-1- Standard SMILES
O=C(NCc1ccc(Cl)cc1)c1cn(N2CCOCC2)c2ccc(CN3CCOCC3)cc2c1=O- InChIKey
VJFLLSGEZKCRGN-UHFFFAOYSA-N- Molecular formula
- C26H29ClN4O4
- Average molar mass
- 497 g/mol
Names & identifiers
- Preferred name
- Jjy8ryh7J4
- IUPAC
- N-[(4-chlorophenyl)methyl]-1-morpholin-4-yl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
Names & synonyms
JJY8RYH7J4PNU-253998UNII-JJY8RYH7J4PNU253998281651-76-13-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-1,4-dihydro-1-(4-morpholinyl)-6-(4-morpholinylmethyl)-4-oxo-N-((4-Chlorophenyl)methyl)-1,4-dihydro-1-(4-morpholinyl)-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamideSCHEMBL6694408VJFLLSGEZKCRGN-UHFFFAOYSA-NN-[(4-chlorophenyl)methyl]-1-morpholino-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamideN-(4-Chlorobenzyl)-1-(4-morpholinyl)-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamideN-[(4-Chlorophenyl)methyl][1-morpholin-4-yl-6-(morpholin-4-ylmethyl)-4-oxo(3-hydroquinolyl)]carboxamide
Database identifiers
- CAS
281651-76-1- PubChem CID
- 490487
- UNII
- JJY8RYH7J4
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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