roz

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 169408367
Molecular Formula

C18H14ClN3O2

SMILES

C1=CC(=CC(=C1)Cl)CC(=O)NC2=C3C=C(C=CC3=CN=C2)C(=O)N

InChI

InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23)

synonyms
  • 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
  • BDBM627863
  • CVD-0019166
Click to show/hide the synonyms
Properties
Property Value
MW 339.8 g/mol
HBD 2
HBA 3
Rotatable Bond Count 4
Exact Mass 339.0774544 g/mol
Monoisotopic Mass 339.0774544 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 473
xlogp 2.4
Topological Polar Surface Area 85.1