[email protected]
CAS 168425-64-7 2-Morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one molecular structure lightbox
CAS RN: 168425-64-7

2-Morpholino-4H-pyrimido[2,1-a]isoquinolin-4-one

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 10mg / 50mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 100mg In stock Inquiry
Batchno.20260115 10mg In stock Inquiry
Batchno.20250723 25mg In stock Inquiry
Batchno.20250719 50mg In stock Inquiry
Batchno.20260414 5mg In stock Inquiry
  • Product code: ICTM2537
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

168425-64-7 / 2-morpholin-4-ylpyrimido[2,1-a]isoquinolin-4-one

Standard CAS: 168425-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168425-64-7
Multi CAS
No
Molecular Formula
C16H15N3O2
Molecular Weight
281.310000
Exact Mass
281.116427
SMILES
C1COCCN1C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2
InChI
InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
InChIKey
BVRDQVRQVGRNHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
82
TPSA
46.84

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.2
Consensus LogP
1.46
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us