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CAS 264208-72-2 4-Chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline molecular structure lightbox
CAS RN: 264208-72-2

4-Chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS264208-72-2
  • Purity/Analytical Methods: >99.0%
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264208-72-2 / 4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

Standard CAS: 264208-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
264208-72-2
Multi CAS
No
Molecular Formula
C16H20ClN3O2
Molecular Weight
321.800000
Exact Mass
321.124405
SMILES
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3Cl)OC
InChI
InChI=1S/C16H20ClN3O2/c1-20-5-3-11(4-6-20)9-22-15-8-13-12(7-14(15)21-2)16(17)19-10-18-13/h7-8,10-11H,3-6,9H2,1-2H3
InChIKey
XAVZTXQALXOZJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
86.82
TPSA
47.48

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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