1-[(4-Chlorophenyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
Basic information
- CAS
380192-76-7- Standard SMILES
OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1- InChIKey
XFPRVFPKQLFJBJ-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
- IUPAC
- 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
- English name
- 2(1H)-Isoquinolineethanol, α-[[(4-chlorophenyl)methoxy]methyl]-3,4-dihydro-
- Molecular formula
- C19H22ClNO2
- Molecular weight
- 331.84
Names & synonyms
380192-76-71-[(4-chlorophenyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-olCHEMBL1619901WAY-380064-A1-((4-Chlorobenzyl)oxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-olF0840-0129Oprea1_722959PRMT5-IN-46orb2647596orb2945342SCHEMBL15833542SMSSF-0061642
Show more names
2(1H)-Isoquinolineethanol, α-[[(4-chlorophenyl)methoxy]methyl]-3,4-dihydro-
BDBM50419189EBC-07129AKOS005206521AS-86955DB-420294HY-153057EN300-241733AF-399/13375142
Database identifiers
- CAS
380192-76-7- ChEMBL
CHEMBL1619901
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 497.4 · 497.4±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.85 · 13.85±0.20(Predicted)
Chemistry & industry
Applications
UsesPRMT5-IN-46 (compound 278) inhibits PRMT5 with IC50 of 1-10 μM. PRMT5 is a methyltransferase which is associated with specific genetic alterations. PRMT5-IN-46 can be used for research of proliferative diseases, metabolic disorders, and blood diseases[1].
Related reactions
0 records
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Compound notes
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