Basic information
- CAS
68638-37-9- Standard SMILES
CC(C)N1CCN(Cn2cnc3ccccc3c2=O)CC1.Cl.Cl- InChIKey
MHOHEZBIFGUNFY-UHFFFAOYSA-N- Molecular formula
- C16H24Cl2N4O
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.1327168
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-isopropyl-1-piperazinylmethyl)-, dihydrochloride
- IUPAC
- 3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-isopropyl-1-piperazinylmethyl)-, dihydrochloride68638-37-9DTXSID602187253-(4-Isopropyl-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284097DTXCID101412163-{[4-(Propan-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
68638-37-9- PubChem CID
- 63263
- DTXSID
DTXSID60218725
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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