Compound Summary
Compound Information
PK 11195
Compound Name: | PK 11195 |
Compound CID: | 1345 |
Synonyms: | PK 11195 |
Iupac Name: | N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide |
InChI: | InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 |
InChIKey: | RAVIZVQZGXBOQO-UHFFFAOYSA-N |
Canonical Smiles: | CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl |
Isomeric Smiles: | CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl |
Molecular Weight: | 352.9 |
Molecular Formula: | C21H21ClN2O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PK 11195
Molecular Weight: | 352.9 |
Molecular Formula: | C21H21ClN2O |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 25 |
Complexity: | 457 |
Synonyms
PK 11195
Experimental Data
PK 11195
Experimental Data Visualization
PK 11195
Statistics Data
PK 11195
Statistics Data Visualization
PK 11195
