• 
  [Synonyms]
  NCI60_005387
  8-Chloro-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
  4-Acridinecarboxamide, 8-chloro-N-(2-(dimethylamino)ethyl)-
  106626-83-9
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	327.80802 [g/mol]
  Molecular Formula	C18H18ClN3O
  XLogP	3.4
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	4
  Tautomer Count	2
  Exact Mass	327.11384
  MonoIsotopic Mass	327.11384
  Topological Polar Surface Area	45.2
  Heavy Atom Count	23
  Formal Charge	0
  Complexity	417
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 8-chloro-N-(2-dimethylaminoethyl)acridine-4-carboxamide
  Canonical SMILES: CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3Cl)N=C21
  InChI: InChI=1/C18H18ClN3O/c1-22(2)10-9-20-18(23)13-6-3-5-12-11-14-15(19)7-4-8-
  16(14)21-17(12)13/h3-8,11H,9-10H2,1-2H3,(H,20,23)/f/h20H