Basic information
- CAS
93203-00-0- Standard SMILES
Oc1ccc2c(c1)C(O)CN(Cc1ccccc1)C2c1ccncc1- InChIKey
ZIXUVOCPFXBCCT-UHFFFAOYSA-N- Molecular formula
- C21H20N2O2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.15247789
Names & identifiers
- Preferred name
- 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(4-pyridinyl)-
- IUPAC
- 2-benzyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline-4,6-diol
Names & synonyms
93203-00-04,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-2-(PHENYLMETHYL)-1-(4-PYRIDINYL)-RefChem:1069527BRN 56171551,2,3,4-Tetrahydro-2-(phenylmethyl)-1-(4-pyridinyl)-4,6-isoquinolinediol2-Benzyl-1-(4-pyridinyl)-1,2,3,4-tetrahydro-4,6-isoquinolinediolDTXSID909186052-benzyl-1-(pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Database identifiers
- CAS
93203-00-0- PubChem CID
- 56586
- DTXSID
DTXSID90918605
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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