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Glafenine
CAS: 3820-67-5 | C19H17ClN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3820-67-5
Molecular Formula:
C19H17ClN2O4
Molecular Mass:
372.81 g/mol
Names and Synonyms:
Glafenine
Benzoic acid, 2-[(7-chloro-4-quinolinyl)amino]-, 2,3-dihydroxypropyl ester
Anthranilic acid, N-(7-chloro-4-quinolyl)-, 2,3-dihydroxypropyl ester
Glycerol, 1-[N-(7-chloro-4-quinolyl)anthranilate]
R 1707
4-[2-(β,γ-Dihydroxypropoxycarbonyl)phenylamino]-7-chloroquinoline
2,3-Dihydroxypropyl N-(7-chloro-4-quinolyl)anthranilate
Glaphenine
Glifanan
Glycerylaminophenaquine
Glafenine
Glaphenin
2,3-Dihydroxypropyl-N-(7-chloro-4-quinolinyl)anthranilate
N-(7-Chloro-4-quinolyl)anthranilic acid 2,3-dihydroxypropyl ester
4-[(2-Carboxyphenyl)amino]-7-chloroquinoline α-monoglyceride
2-[(7-Chloro-4-quinolyl)amino]benzoic acid α-glyceride
Glifan
Alcidon
Dolomate
Glafenin
Glicafan
Glifanar
Privadol
2,3-Dihydroxypropyl 2-((7-chloroquinolin-4-yl)amino)benzoate
Identifiers:
SMILES:
O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
InChI:
InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
Key Properties
Melting Point
169.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.81 g/mol | CAS Common Chemistry |
| 372.80800000000005 g/mol | RDKit | |
| 372.087684704 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)CO)C=1C=CC=CC1NC=2C=CN=C3C=C(Cl)C=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=GWOFUCIGLDBNKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169.5 °C | CAS Common Chemistry |
| Name | Glafenine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 91.68 Ų | RDKit |
| LogP | 3.141800000000001 | RDKit |
| Molar Refractivity | 99.85280000000002 | RDKit |
