Basic information
- Standard SMILES
O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc2cnccc12- InChIKey
LAJBRLBYOVKUOY-UHFFFAOYSA-N- Molecular formula
- C21H22N4O2
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- N-5-isoquinolinyl-N'-[4-(4-morpholinyl)benzyl]urea
- IUPAC
- 1-isoquinolin-5-yl-3-[(4-morpholin-4-ylphenyl)methyl]urea
Names & synonyms
CHEMBL231105SCHEMBL4023640BDBM20341LAJBRLBYOVKUOY-UHFFFAOYSA-NPD179066DB-087437N-5-isoquinolinyl-N'-[4-(4-morpholinyl)benzyl]urea1-isoquinolin-5-yl-3-{[4-(morpholin-4-yl)phenyl]methyl}ureaN-isoquinolin-5-yl-N'-[(4-morpholin-4-ylphenyl)methyl]urea581810-30-2
Database identifiers
- PubChem CID
- 10248092
- ChEMBL
CHEMBL231105
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Related reactions
9 records
Compound notes
Loading…