Basic information
- CAS
68638-35-7- Standard SMILES
Cl.Cl.O=c1c2ccccc2ncn1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
LOUCFQGVNXUXNS-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2N5O3
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 437.1021449
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-(p-nitrophenyl)-1-piperazinylmethyl)-, dihydrochloride
- IUPAC
- 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
4(3H)-Quinazolinone, 3-(4-(p-nitrophenyl)-1-piperazinylmethyl)-, dihydrochloride68638-35-7DTXSID402187233-(4-(p-Nitrophenyl)-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochlorideRefChem:284069DTXCID901412143-{[4-(4-Nitrophenyl)piperazin-1-yl]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
68638-35-7- PubChem CID
- 63505
- DTXSID
DTXSID40218723
Properties
Computed structural properties
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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