Basic information
- CAS
68638-33-5- Standard SMILES
Cl.Cl.O=c1c2ccccc2ncn1CN1CCN(c2ccccc2Cl)CC1- InChIKey
XEAIZGQGNWIUAW-UHFFFAOYSA-N- Molecular formula
- C19H21Cl3N4O
- Average molar mass
- 427.8 g/mol
- Monoisotopic mass
- 426.078094
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-(o-chlorophenyl)-1-piperazinylmethyl)-, dihydrochloride
- IUPAC
- 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-(o-chlorophenyl)-1-piperazinylmethyl)-, dihydrochloride68638-33-5DTXSID202187213-(4-(o-Chlorophenyl)-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284065DTXCID701412123-{[4-(2-Chlorophenyl)piperazin-1-yl]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
68638-33-5- PubChem CID
- 63261
- DTXSID
DTXSID20218721
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
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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