Completing data — usually done within a minute
Basic information
- CAS
1204701-70-1- Standard SMILES
Clc1ccc2cc(Nc3cc(CN4CCCC4)ccn3)ncc2c1- InChIKey
HAZBPEQJWFSYCU-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.1298243
Names & identifiers
- Preferred name
- 7-Chloro-N-(4-(pyrrolidin-1-ylmethyl)pyridin-2-yl)isoquinolin-3-amine
- IUPAC
- 7-chloro-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
Names & synonyms
1204701-70-17-Chloro-N-(4-(pyrrolidin-1-ylmethyl)pyridin-2-yl)isoquinolin-3-amine7-chloro-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]isoquinolin-3-amine7-CHLORO-N-(4-(PYRROLIDIN-1-YLMETHYL)-PYRIDIN-2-YL)ISOQUINOLIN-3-AMINESCHEMBL1822729DTXSID00659618HAZBPEQJWFSYCU-UHFFFAOYSA-NDB-3337187-Chloro-N-{4-[(pyrrolidin-1-yl)methyl]pyridin-2-yl}isoquinolin-3-amine7-Chloroisoquinolin-3-yl-(4-pyrrolidin-1-ylmethyl-pyridin-2-yl)-amine
Database identifiers
- CAS
1204701-70-1- PubChem CID
- 44596293
- DTXSID
DTXSID00659618
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Related reactions
1 records
Compound notes
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