Quinazoline, 4-(diethylamino)-6-methoxy-2-(p-nitrostyryl)-
Basic information
- CAS
60396-00-1- Standard SMILES
CCN(CC)c1nc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(OC)cc12- InChIKey
FSDJAWHFNPQMEW-UHFFFAOYSA-N- Molecular formula
- C21H22N4O3
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.16919058
Names & identifiers
- Preferred name
- Quinazoline, 4-(diethylamino)-6-methoxy-2-(p-nitrostyryl)-
- IUPAC
- N,N-diethyl-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-amine
- English name
- 4-(diethylamino)-2-(2-{4-nitrophenyl}vinyl)-6-methoxyquinazoline
- Molecular formula
- C21H22N4O3
- Molecular weight
- 378.43
Names & synonyms
Quinazoline, 4-(diethylamino)-6-methoxy-2-(p-nitrostyryl)-60396-00-1RefChem:1097775BRN 07677562-(4-Nitrostyryl)-4-(diethylamino)-6-methoxyquinazoline4-(diethylamino)-2-(2-{4-nitrophenyl}vinyl)-6-methoxyquinazoline
Database identifiers
- CAS
60396-00-1- PubChem CID
- 6446129
- Nikkaji
- J73.018A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Melting point
- 129 · 129-130 °C(Solvent: Heptane)
- Boiling point
- 448.026 · 448.026±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.088 · 6.088±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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