![CAS 202826-52-6 1’H-Spiro[piperidine-4,2′-quinazolin]-4′(3’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202826-52-6.gif)
CAS RN: 202826-52-6
1’H-Spiro[piperidine-4,2′-quinazolin]-4′(3’H)-one
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS202826-52-6
- Purity/Analytical Methods: >99.0%
202826-52-6 / spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
Basic Information
CAS
202826-52-6
Multi CAS
No
Molecular Formula
C12H15N3O
Molecular Weight
217.270000
Exact Mass
217.121512
SMILES
C1CNCCC12NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C12H15N3O/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12/h1-4,13-14H,5-8H2,(H,15,16)
InChIKey
DMCVIPFZUCHMQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.37
TPSA
53.16
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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