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CAS 1391426-22-4 N2-(7-Chloro-4-quinolinyl)-N1-[2-[(7-chloro-4-quinolinyl)aMino]ethyl]-N1-Methyl-1,2-ethanediaMine molecular structure lightbox
CAS RN: 1391426-22-4

N2-(7-Chloro-4-quinolinyl)-N1-[2-[(7-chloro-4-quinolinyl)aMino]ethyl]-N1-Methyl-1,2-ethanediaMine

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Batchno.20250504 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1391426-22-4
  • Purity/Analytical Methods: >99.0%
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1391426-22-4 / N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine

Standard CAS: 1391426-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391426-22-4
Multi CAS
No
Molecular Formula
C23H23Cl2N5
Molecular Weight
440.400000
Exact Mass
439.133051
SMILES
CN(CCNC1=C2C=CC(=CC2=NC=C1)Cl)CCNC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)
InChIKey
WDGQVCRQXSYPCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.22
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
127.98
TPSA
53.08

LogP / Solubility

WLOGP
5.55
MLOGP
4.91
XLogP3
5.4
Consensus LogP
5.29
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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