Basic information
- CAS
827030-71-7- Standard SMILES
COc1ccc(OC)c(N(C)c2nc(Cl)nc3ccccc23)c1- InChIKey
QGDAWZDGEQZCJD-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O2
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0931045
Names & identifiers
- Preferred name
- 2-chloro-N-(2,5-dimethoxyphenyl)-N-methylquinazolin-4-amine
- IUPAC
- 2-chloro-N-(2,5-dimethoxyphenyl)-N-methylquinazolin-4-amine
Names & synonyms
827030-71-72-chloro-N-(2,5-dimethoxyphenyl)-N-methylquinazolin-4-amine(2-Chloro-quinazolin-4-yl)-(2,5-dimethoxy-phenyl)-methyl-amineSCHEMBL3119438CHEMBL3922715DTXSID10460338QGDAWZDGEQZCJD-UHFFFAOYSA-N
Database identifiers
- CAS
827030-71-7- PubChem CID
- 11255967
- DTXSID
DTXSID10460338- ChEMBL
CHEMBL3922715
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
4 records
Compound notes
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