Basic information
- CAS
17656-18-7- Standard SMILES
Cl.Cn1c(=O)c2ccccc2n(CC#CCN2CCCCC2)c1=O- InChIKey
DAMPYIMMVSMYGA-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O2
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.1400546
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Quinazolinedione, 3-methyl-1-(4-piperidino-2-butynyl)-, monohydrochloride
- IUPAC
- 3-methyl-1-(4-piperidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;hydrochloride
Names & synonyms
2,4(1H,3H)-Quinazolinedione, 3-methyl-1-(4-piperidino-2-butynyl)-, monohydrochloride3-Methyl-1-(4-piperidino-2-butynyl)-2,4(1H,3H)-quinazolinedione hydrochloride17656-18-7DTXSID60170152RefChem:245422DTXCID20926433-Methyl-1-[4-(piperidin-1-yl)but-2-yn-1-yl]quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
17656-18-7- PubChem CID
- 205229
- DTXSID
DTXSID60170152
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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