Basic information
- CAS
68638-38-0- Standard SMILES
Cl.Cl.O=c1c2ccccc2ncn1CN1CCN(O)CC1- InChIKey
ZFUCSHYRYZMOAU-UHFFFAOYSA-N- Molecular formula
- C13H18Cl2N4O2
- Average molar mass
- 333.21 g/mol
- Monoisotopic mass
- 332.0806812
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-hydroxy-1-piperazinylmethyl)-, dihydrochloride
- IUPAC
- 3-[(4-hydroxypiperazin-1-yl)methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-hydroxy-1-piperazinylmethyl)-, dihydrochloride68638-38-0DTXSID202187263-(4-Hydroxy-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284095DTXCID701412173-[(4-Hydroxypiperazin-1-yl)methyl]quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
68638-38-0- PubChem CID
- 64032
- DTXSID
DTXSID20218726
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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