6-(1-morpholinoethyl)quinolin-8-yl morpholine-4-carboxylate

ID: ALA4594074

Chembl Id: CHEMBL4594074

PubChem CID: 92131179

Max Phase: Preclinical

Molecular Formula: C20H25N3O4

Molecular Weight: 371.44

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(c1cc(OC(=O)N2CCOCC2)c2ncccc2c1)N1CCOCC1

Standard InChI:  InChI=1S/C20H25N3O4/c1-15(22-5-9-25-10-6-22)17-13-16-3-2-4-21-19(16)18(14-17)27-20(24)23-7-11-26-12-8-23/h2-4,13-15H,5-12H2,1H3

Standard InChI Key:  CZTROFGRSNHPQM-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4594074

   [6-(1-Morpholin-4-ylethyl)quinolin-8-yl] morpholine-4-carboxylate

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 371.44

Molecular Weight (Monoisotopic): 371.1845

AlogP: 2.46

#Rotatable Bonds: 3

Polar Surface Area: 64.13

Molecular Species: NEUTRAL

HBA: 6

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 6.69

CX LogP: 1.77

CX LogD: 1.70

Aromatic Rings: 2

Heavy Atoms: 27

QED Weighted: 0.83

Np Likeness Score: -1.18

References

1. Huang W, Liang M, Li Q, Zheng X, Zhang C, Wang Q, Tang L, Zhang Z, Wang B, Shen Z..  (2019)  Development of the "hidden" multifunctional agents for Alzheimer's disease.,  177  [PMID:31158742] [10.1016/j.ejmech.2019.05.051]

Source

Source(1):

• Scientific Literature