Basic information
- CAS
75159-49-8- Standard SMILES
Cc1ccccc1NCn1cnc2ccccc2c1=O.Cl.Cl- InChIKey
LXMJFDPOSOYUJZ-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2N3O
- Average molar mass
- 338.2 g/mol
- Monoisotopic mass
- 337.0748676
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(((2-methylphenyl)amino)methyl)-, dihydrochloride
- IUPAC
- 3-[(2-methylanilino)methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(((2-methylphenyl)amino)methyl)-, dihydrochloride75159-49-8DTXSID202261493-(((2-Methylphenyl)amino)methyl)-4(3H)-quinazolinone dihydrochlorideRefChem:283923DTXCID701486403-[(2-Methylanilino)methyl]quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
75159-49-8- PubChem CID
- 63574
- DTXSID
DTXSID20226149
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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