Basic information
- CAS
1204701-92-7- Standard SMILES
c1ccc2cc(Nc3cc(CN4CCNCC4)ccn3)ncc2c1- InChIKey
LAIJEDWUWJVPRC-UHFFFAOYSA-N- Molecular formula
- C19H21N5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17969569
Names & identifiers
- Preferred name
- Isoquinolin-3-yl-(4-piperazin-1-ylmethyl-pyridin-2-yl)-amine
- IUPAC
- N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
Names & synonyms
SCHEMBL1825668LAIJEDWUWJVPRC-UHFFFAOYSA-NDTXSID301193984Isoquinolin-3-yl-(4-piperazin-1-ylmethyl-pyridin-2-yl)-amine1204701-92-7N-[4-(1-Piperazinylmethyl)-2-pyridinyl]-3-isoquinolinamineN-{4-[(Piperazin-1-yl)methyl]pyridin-2-yl}isoquinolin-3-amine
Database identifiers
- CAS
1204701-92-7- PubChem CID
- 44612469
- DTXSID
DTXSID301193984
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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