(2,8-diphenylquinolin-4-yl)(morpholino)methanone

ID: ALA4757892

Chembl Id: CHEMBL4757892

PubChem CID: 162656614

Max Phase: Preclinical

Molecular Formula: C26H22N2O2

Molecular Weight: 394.47

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O=C(c1cc(-c2ccccc2)nc2c(-c3ccccc3)cccc12)N1CCOCC1

Standard InChI:  InChI=1S/C26H22N2O2/c29-26(28-14-16-30-17-15-28)23-18-24(20-10-5-2-6-11-20)27-25-21(12-7-13-22(23)25)19-8-3-1-4-9-19/h1-13,18H,14-17H2

Standard InChI Key:  YFWIUAHABULBNW-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4757892

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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: 394.47

Molecular Weight (Monoisotopic): 394.1681

AlogP: 5.04

#Rotatable Bonds: 3

Polar Surface Area: 42.43

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 1.60

CX LogP: 4.89

CX LogD: 4.89

Aromatic Rings: 4

Heavy Atoms: 30

QED Weighted: 0.49

Np Likeness Score: -1.26

References

1. Bum-Erdene K,Liu D,Xu D,Ghozayel MK,Meroueh SO.  (2021)  Design and Synthesis of Fragment Derivatives with a Unique Inhibition Mechanism of the uPAR·uPA Interaction.,  12  (1): [PMID:33488965] [10.1021/acsmedchemlett.0c00422]

Source

Source(1):

• Scientific Literature