Basic information
- Standard SMILES
O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(-c2cccnc2)c1- InChIKey
HXOLKDWHFJHQCU-UHFFFAOYSA-N- Molecular formula
- C24H25N3O2
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.19467705
Names & identifiers
- Preferred name
- N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(pyridin-3-yl)benzamide
- IUPAC
- N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylbenzamide
Names & synonyms
CHEMBL3893934SCHEMBL15824363SCHEMBL32667596HXOLKDWHFJHQCU-UHFFFAOYSA-NBDBM176827US9675614, 8N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(pyridin-3-yl)benzamide
Database identifiers
- PubChem CID
- 76903068
- ChEMBL
CHEMBL3893934
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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