N2-[(4-methoxyphenyl)methyl]quinoxaline-2,7-diamine
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Basic information
- Standard SMILES
COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1- InChIKey
HGNIQGQDVVWNGE-UHFFFAOYSA-N- Molecular formula
- C16H16N4O
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13241115
Names & identifiers
- Preferred name
- N2-[(4-methoxyphenyl)methyl]quinoxaline-2,7-diamine
- IUPAC
- 2-N-[(4-methoxyphenyl)methyl]quinoxaline-2,7-diamine
Names & synonyms
NSC652765N2-[(4-methoxyphenyl)methyl]quinoxaline-2,7-diamineCHEMBL1989186NSC-652765NCI60_018454N2-(4 methoxybenzyl)quinoxaline-2,7-diamineN~2~-(4-Methoxybenzyl)-2,7-quinoxalinediamine
Database identifiers
- PubChem CID
- 374665
- ChEMBL
CHEMBL1989186- Nikkaji
- J779.660I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
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