N-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4-amine
Basic information
- CAS
882084-07-3- Standard SMILES
COc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)c(OC)c1- InChIKey
OPTHBFSEGGYQHX-UHFFFAOYSA-N- Molecular formula
- C16H14N4O4
- Average molar mass
- 326.31 g/mol
- Monoisotopic mass
- 326.10150494
Names & identifiers
- Preferred name
- N-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4-amine
- IUPAC
- N-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4-amine
Names & synonyms
N-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4-amine882084-07-3MLS000721787N-(2,4-dimethoxyphenyl)-6-nitro-4-quinazolinamineCHEMBL1387869DTXSID501326028HMS2718H19AKOS002350809JS-2166SMR000336941SR-01000309715SR-01000309715-1
Database identifiers
- CAS
882084-07-3- PubChem CID
- 4136324
- DTXSID
DTXSID501326028- ChEMBL
CHEMBL1387869
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility10.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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