Basic information
- CAS
122009-60-3- Standard SMILES
C=CCN1CCN(c2nc(OCCCCC)c3ccccc3n2)CC1.Cl.Cl- InChIKey
GGACPFCELMNWCL-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N4O
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 412.179667
Names & identifiers
- Preferred name
- Quinazoline, 4-(pentyloxy)-2-(4-(2-propenyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline;dihydrochloride
Names & synonyms
Quinazoline, 4-(pentyloxy)-2-(4-(2-propenyl)-1-piperazinyl)-, dihydrochloride2-(4-Allyl-1-piperazinyl)-4-pentyloxyquinazoline dihydrochloride122009-60-34-(Pentyloxy)-2-(4-(2-propenyl)-1-piperazinyl)quinazoline dihydrochlorideDTXSID00153469RefChem:378395DTXCID8075960SCHEMBL98194974-(Pentyloxy)-2-[4-(prop-2-en-1-yl)piperazin-1-yl]quinazoline--hydrogen chloride (1/2)
Database identifiers
- CAS
122009-60-3- PubChem CID
- 3078635
- DTXSID
DTXSID00153469
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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