Basic information
- CAS
68638-28-8- Standard SMILES
Cc1cccc(N2CCN(Cn3cnc4ccccc4c3=O)CC2)c1.Cl.Cl- InChIKey
QQXSYEFQYPBBSA-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N4O
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 406.1327168
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-(m-tolyl)-1-piperazinylmethyl)-, dihydrochloride
- IUPAC
- 3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-(m-tolyl)-1-piperazinylmethyl)-, dihydrochloride68638-28-8DTXSID902187183-(4-(m-Tolyl)-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284064DTXCID401412093-{[4-(3-Methylphenyl)piperazin-1-yl]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
68638-28-8- PubChem CID
- 63501
- DTXSID
DTXSID90218718
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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