5-Methoxy-N-(2-chlorophenyl)-2,3-naphthalimide

ID: ALA4448763

Chembl Id: CHEMBL4448763

PubChem CID: 155520472

Max Phase: Preclinical

Molecular Formula: C19H12ClNO3

Molecular Weight: 337.76

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cccc2cc3c(cc12)C(=O)N(c1ccccc1Cl)C3=O

Standard InChI:  InChI=1S/C19H12ClNO3/c1-24-17-8-4-5-11-9-13-14(10-12(11)17)19(23)21(18(13)22)16-7-3-2-6-15(16)20/h2-10H,1H3

Standard InChI Key:  NLLBNZMYCPCJLP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4448763

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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: 337.76

Molecular Weight (Monoisotopic): 337.0506

AlogP: 4.30

#Rotatable Bonds: 2

Polar Surface Area: 46.61

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 4.01

CX LogD: 4.01

Aromatic Rings: 3

Heavy Atoms: 24

QED Weighted: 0.65

Np Likeness Score: -0.75

References

1. Jin C, Alenazy R, Wang Y, Mowla R, Qin Y, Tan JQE, Modi ND, Gu X, Polyak SW, Venter H, Ma S..  (2019)  Design, synthesis and evaluation of a series of 5-methoxy-2,3-naphthalimide derivatives as AcrB inhibitors for the reversal of bacterial resistance.,  29  (7): [PMID:30755336] [10.1016/j.bmcl.2019.02.003]

Source

Source(1):

• Scientific Literature