CAS RN: 102269-47-6
Ethyl 7-(furan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINE902175
102269-47-6 / ethyl 7-(furan-2-yl)-4-oxo-1H-quinoline-3-carboxylate
Ethyl 7-(furan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate | ethyl 7-(furan-2-yl)-4-oxo-1H-quinoline-3-carboxylate | D84268
Basic Information
CAS
102269-47-6
Multi CAS
No
Molecular Formula
C16H13NO4
Molecular Weight
283.280000
Exact Mass
283.084458
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=CC=CO3
InChI
InChI=1S/C16H13NO4/c1-2-20-16(19)12-9-17-13-8-10(14-4-3-7-21-14)5-6-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,18)
InChIKey
BASZITAWPSSUBG-UHFFFAOYSA-N
Synonyms
Ethyl 7-(furan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
ethyl 7-(furan-2-yl)-4-oxo-1H-quinoline-3-carboxylate
D84268
Ethyl 7-(furan-2-yl)-4-hydroxyquinoline-3-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.23
TPSA
72.3
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
7-benzyl-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one
- CAS RN: 1823866-47-2
- Product Code: LINB927215
-
-
7-bromo-3-chloro-1,2-dihydroisoquinolin-1-one
- CAS RN: 476492-85-0
- Product Code: SSC-154607
-
7-Bromo-9-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
- CAS RN: 21228-40-0
- Product Code: LINB928936
![CAS 1823866-47-2 7-benzyl-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1823866-47-2.png)
