4-(9-Acridinylamino)-2,2,6,6-tetramethyl-1-piperidinyloxy

ID: ALA3273269

Chembl Id: CHEMBL3273269

Cas Number: 58814-40-7

PubChem CID: 148852

Max Phase: Preclinical

Molecular Formula: C22H26N3O

Molecular Weight: 348.47

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1(C)CC(Nc2c3ccccc3nc3ccccc23)CC(C)(C)N1[O]

Standard InChI:  InChI=1S/C22H26N3O/c1-21(2)13-15(14-22(3,4)25(21)26)23-20-16-9-5-7-11-18(16)24-19-12-8-6-10-17(19)20/h5-12,15H,13-14H2,1-4H3,(H,23,24)

Standard InChI Key:  KPPDDYNFTOVPSI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3273269

   4-(9-Acridinylamino)-2,2,6,6-tetramethyl-1-piperidinyloxy

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 348.47

Molecular Weight (Monoisotopic): 348.2076

AlogP: 5.17

#Rotatable Bonds: 2

Polar Surface Area: 48.06

Molecular Species: BASE

HBA: 3

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 9.18

CX LogP: 3.72

CX LogD: 2.28

Aromatic Rings: 3

Heavy Atoms: 26

QED Weighted: 0.65

Np Likeness Score: -0.23

References

1. Sinha BK, Cysyk RL, Millar DB, Chignell CF..  (1976)  Synthesis and biological properties of some spin-labeled 9-aminoacridines.,  19  (8): [PMID:184284] [10.1021/jm00230a002]

Source

Source(1):

• Scientific Literature