![CAS 1160247-71-1 Tert-Butyl 2′-Oxo-2′,4′-Dihydro-1’H-Spiro[Pyrrolidine-3,3′-Quinoline]-1-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-71-1.gif)
CAS RN: 1160247-71-1
Tert-Butyl 2′-Oxo-2′,4′-Dihydro-1’H-Spiro[Pyrrolidine-3,3′-Quinoline]-1-Carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260118 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160247-71-1
- Purity/Analytical Methods: >99.0%
1160247-71-1 / tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carboxylate
tert-Butyl 2'-oxo-2',4'-dihydro-1'H-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate | Tert-Butyl 2-Oxo-2,4-Dihydro-1H-Spiro[Pyrrolidine-3,3-Quinoline]-1-Carboxylate | tert-Butyl 2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carboxylate
Basic Information
CAS
1160247-71-1
Multi CAS
No
Molecular Formula
C17H22N2O3
Molecular Weight
302.370000
Exact Mass
302.163043
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-9-8-17(11-19)10-12-6-4-5-7-13(12)18-14(17)20/h4-7H,8-11H2,1-3H3,(H,18,20)
InChIKey
AUNJZAUQELRVHO-UHFFFAOYSA-N
Synonyms
tert-Butyl 2'-oxo-2',4'-dihydro-1'H-spiro[pyrrolidine-3,3'-quinoline]-1-carboxylate
Tert-Butyl 2-Oxo-2,4-Dihydro-1H-Spiro[Pyrrolidine-3,3-Quinoline]-1-Carboxylate
tert-Butyl 2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carboxylate
MFCD12198632
SCHEMBL20721891
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.63
TPSA
58.64
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
1.9
Consensus LogP
2.4
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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