6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol
Basic information
- Standard SMILES
C=CCOc1cccc(C2(O)c3ccccc3C3=NCCCN32)c1.Cl- InChIKey
BPECPXIFGVYSCQ-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.1291556
Names & identifiers
- Preferred name
- 6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol
- IUPAC
- 6-(3-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol;hydrochloride
Names & synonyms
NSC700415CHEMBL555778NSC-7004156-(3-allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-olPyrimido[2,1-a]isoindol-6-ol, 2,3,4,6-tetrahydro-6-[3-(2-propenyloxy)phenyl]-, monohydrochloride
Database identifiers
- PubChem CID
- 395631
- ChEMBL
CHEMBL555778
Properties
Computed structural properties
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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