(S)-N-(1-(3-Aminobenzyl)pyrrolidin-3-yl)isoquinolin-5-amine
Basic information
- CAS
675133-44-5- Standard SMILES
Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1- InChIKey
KDILGLNJDNVPLP-SFHVURJKSA-N- Molecular formula
- C20H22N4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18444672
Names & identifiers
- Preferred name
- (S)-N-(1-(3-Aminobenzyl)pyrrolidin-3-yl)isoquinolin-5-amine
- IUPAC
- N-[(3S)-1-[(3-aminophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
Names & synonyms
675133-44-5CHEMBL438783(S)-N-(1-(3-Aminobenzyl)pyrrolidin-3-yl)isoquinolin-5-amineN-{(3S)-1-[(3-Aminophenyl)methyl]pyrrolidin-3-yl}isoquinolin-5-amineN-[(3S)-1-[(3-AMINOPHENYL)METHYL]PYRROLIDIN-3-YL]ISOQUINOLIN-5-AMINESCHEMBL4465063DTXSID30437300BDBM50197912(3S)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoquinolyl)amine
Database identifiers
- CAS
675133-44-5- PubChem CID
- 10245340
- DTXSID
DTXSID30437300- ChEMBL
CHEMBL438783
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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