3-[3-[(2-Chloroethylamino)methyl]-4-ethoxyphenyl]-2-methylquinazolin-4-one
Basic information
- CAS
69561-23-5- Standard SMILES
CCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1CNCCCl- InChIKey
SCXVBQGJFFZASL-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3O2
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1400546
Names & identifiers
- Preferred name
- 3-[3-[(2-Chloroethylamino)methyl]-4-ethoxyphenyl]-2-methylquinazolin-4-one
- IUPAC
- 3-[3-[(2-chloroethylamino)methyl]-4-ethoxyphenyl]-2-methylquinazolin-4-one
Names & synonyms
69561-23-5NSC2253803-[3-[(2-chloroethylamino)methyl]-4-ethoxyphenyl]-2-methylquinazolin-4-oneDTXSID30310341NSC-2253803-(3-{[(2-Chloroethyl)amino]methyl}-4-ethoxyphenyl)-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
69561-23-5- PubChem CID
- 312978
- DTXSID
DTXSID30310341
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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