Basic information
- Standard SMILES
CCN(CCO)C1=CC(=O)C(Nc2ccc(N(CC)C(C)C)cc2)=CC1=O- InChIKey
YRIZLYFGBPGHAI-UHFFFAOYSA-N- Molecular formula
- C21H29N3O3
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Ethylisopropylamino)phenylamino)-5-[(2-hydroxyethyl)ethylamino][1,4]benzoquinone
- IUPAC
- 2-[ethyl(2-hydroxyethyl)amino]-5-[4-[ethyl(propan-2-yl)amino]anilino]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
SCHEMBL15020004YRIZLYFGBPGHAI-UHFFFAOYSA-N2-[4-(ethylisopropylamino)phenylamino)-5-[(2-hydroxyethyl)ethylamino][1,4]benzoquinone
Database identifiers
- PubChem CID
- 89620492
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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