N-(2-(dimethylamino)ethyl)-6-fluoro-2-phenoxyquinoline-4-carboxamide

ID: ALA5278164

Chembl Id: CHEMBL5278164

Max Phase: Preclinical

Molecular Formula: C20H20FN3O2

Molecular Weight: 353.40

Names and Identifiers

Canonical SMILES:  CN(C)CCNC(=O)c1cc(Oc2ccccc2)nc2ccc(F)cc12

Standard InChI:  InChI=1S/C20H20FN3O2/c1-24(2)11-10-22-20(25)17-13-19(26-15-6-4-3-5-7-15)23-18-9-8-14(21)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)

Standard InChI Key:  INYXSBHBFQZWBN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5278164

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 353.40

Molecular Weight (Monoisotopic): 353.1540

AlogP: 3.46

#Rotatable Bonds: 6

Polar Surface Area: 54.46

Molecular Species: BASE

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 8.51

CX LogP: 3.46

CX LogD: 2.32

Aromatic Rings: 3

Heavy Atoms: 26

QED Weighted: 0.74

Np Likeness Score: -1.71

References

1. Kaur R, Kumar K..  (2021)  Synthetic and medicinal perspective of quinolines as antiviral agents.,  215  [PMID:33609889] [10.1016/j.ejmech.2021.113220]

Source

Source(1):

• Scientific Literature