2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol
Basic information
- CAS
33386-39-9- Standard SMILES
CCOc1cc2c(NCCCN(CCO)CCO)ncnc2c(OCC)c1OCC- InChIKey
MMZXVKQSUKESED-UHFFFAOYSA-N- Molecular formula
- C21H34N4O5
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.2529202
Names & identifiers
- Preferred name
- 2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol
- IUPAC
- 2-[2-hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol
Names & synonyms
33386-39-9NSC3190782-[2-hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanolCHEMBL1988208DTXSID40317604NSC-3190782,2'-({3-[(6,7,8-Triethoxyquinazolin-4-yl)amino]propyl}azanediyl)di(ethan-1-ol)
Database identifiers
- CAS
33386-39-9- PubChem CID
- 330472
- DTXSID
DTXSID40317604- ChEMBL
CHEMBL1988208
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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