Completing data — usually done within a minute
Basic information
- CAS
888478-48-6- Standard SMILES
COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1- InChIKey
ZPAJPJGPEMLZNB-UHFFFAOYSA-N- Molecular formula
- C21H22FN5O2
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.17575316
Names & identifiers
- Preferred name
- 1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methylphenyl)piperazine
- IUPAC
- N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
Names & synonyms
SCHEMBL1138193CHEMBL1278119ZPAJPJGPEMLZNB-UHFFFAOYSA-NDTXSID8011338521-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methylphenyl)piperazine888478-48-61-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-m ethylphenyl)piperazineN-(7-Fluoro-3-methoxy-2-quinoxalinyl)-4-(3-methylphenyl)-1-piperazinecarboxamideN-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
Database identifiers
- CAS
888478-48-6- PubChem CID
- 11675599
- DTXSID
DTXSID801133852- ChEMBL
CHEMBL1278119
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 559
Related reactions
3 records
Compound notes
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