3-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]-1H-quinazoline-2,4-dione
Basic information
- CAS
55211-13-7- Standard SMILES
O=c1[nH]c2ccccc2c(=O)n1CCCCCCN1CCN(c2cccc(Cl)c2)CC1- InChIKey
BUYIIOPUUZPKTC-UHFFFAOYSA-N- Molecular formula
- C24H29ClN4O2
- Average molar mass
- 441 g/mol
- Monoisotopic mass
- 440.1979039
Names & identifiers
- Preferred name
- 3-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]-1H-quinazoline-2,4-dione
- IUPAC
- 3-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]-1H-quinazoline-2,4-dione
Names & synonyms
NSC28160755211-13-73-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]-1H-quinazoline-2,4-dioneDTXSID10314226NSC-2816072,4(1H,3H)-Quinazolinedione, 3-[6-[4-(3-chlorophenyl)-1-piperazinyl]hexyl]-3-{6-[4-(3-Chlorophenyl)piperazin-1-yl]hexyl}quinazoline-2,4(1H,3H)-dione
Database identifiers
- CAS
55211-13-7- PubChem CID
- 322928
- DTXSID
DTXSID10314226
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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