4(3H)-Quinazolinone, 3-(4-methyl-1-piperazinylmethyl)-, dihydrochloride
Basic information
- CAS
68638-25-5- Standard SMILES
CN1CCN(Cn2cnc3ccccc3c2=O)CC1.Cl.Cl- InChIKey
XSWQZNTZHGDFKT-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N4O
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.1014167
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-methyl-1-piperazinylmethyl)-, dihydrochloride
- IUPAC
- 3-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-methyl-1-piperazinylmethyl)-, dihydrochloride68638-25-5DTXSID102187153-(4-Methyl-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284101DTXCID601412063-[(4-Methylpiperazin-1-yl)methyl]quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
68638-25-5- PubChem CID
- 63499
- DTXSID
DTXSID10218715
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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