ID: ALA2314942

Max Phase: Preclinical

Molecular Formula: C18H24N2O

Molecular Weight: 284.40

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCCCCCOc1ccc2c(c1)CCc1nccn1-2

Standard InChI:  InChI=1S/C18H24N2O/c1-2-3-4-5-6-13-21-16-8-9-17-15(14-16)7-10-18-19-11-12-20(17)18/h8-9,11-12,14H,2-7,10,13H2,1H3

Standard InChI Key:  CCONZSTZWHMHEM-UHFFFAOYSA-N

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

Properties

Molecular Weight: 284.40

Molecular Weight (Monoisotopic): 284.1889

AlogP: 4.32

#Rotatable Bonds: 7

Polar Surface Area: 27.05

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 6.50

CX LogP: 4.67

CX LogD: 4.62

Aromatic Rings: 2

Heavy Atoms: 21

QED Weighted: 0.71

Np Likeness Score: -0.79

References

1. Sun XY, Wu R, Wen X, Guo L, Zhou CP, Li J, Quan ZS, Bao J..  (2013)  Synthesis and evaluation of antibacterial activity of 7-alkyloxy-4,5-dihydro-imidazo[1,2-a]quinoline derivatives.,  60  [PMID:23321259] [10.1016/j.ejmech.2012.12.034]

Source

Source(1):

• Scientific Literature