Basic information
- Standard SMILES
CC(C)CC(C=O)Nc1nc2ccccc2nc1Cl- InChIKey
PDKVINDAZGJBAE-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O
- Average molar mass
- 277.75 g/mol
- Monoisotopic mass
- 277.0981898
Names & identifiers
- Preferred name
- 2-(3-Chloroquinoxalin-2-ylamino)-4-methylpentanal
- IUPAC
- 2-[(3-chloroquinoxalin-2-yl)amino]-4-methylpentanal
Names & synonyms
SCHEMBL2324652PDKVINDAZGJBAE-UHFFFAOYSA-N2-(3-chloroquinoxalin-2-ylamino)-4-methylpentanal
Database identifiers
- PubChem CID
- 57425908
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
1 records
Compound notes
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