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| CAS No.: | 62265-68-3 |
|---|---|
| Name: | Quinfamide |
| Molecular Structure: | |
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| Formula: | C16H13Cl2NO4 |
| Molecular Weight: | 354.19 |
| Synonyms: | 2-Furancarboxylicacid, 1-(dichloroacetyl)-1,2,3,4-tetrahydro-6-quinolinyl ester (9CI);Amenide;Amenox;Quinfamide;Win 40014; |
| EINECS: | 263-478-1 |
| Density: | 1.428g/cm3 |
| Melting Point: | 145-146°C |
| Boiling Point: | 551.3 °C at 760 mmHg |
| Flash Point: | 287.2 °C |
| PSA: | 59.75000 |
| LogP: | 3.64670 |
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- 527-69-5
2-furancarbonyl chloride
- 62265-67-2
1-dichloroacetyl-1,2,3,4-tetrahydro-quinolin-6-ol
- 7440-44-0
pyrographite
- 62265-68-3
quinfamide
| Conditions | Yield |
|---|---|
| With acetic acid; triethylamine In methanol; chloroform; ethyl acetate |
- 3373-00-0
6-hydroxy-1,2,3,4-tetrahydroquinoline
- 62265-68-3
quinfamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hexane; chloroform 2: acetic acid; triethylamine / methanol; chloroform; ethyl acetate View Scheme |
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Specification
The Quinfamide with the CAS number 62265-68-3 is also called Amenide. The IUPAC name is [1-(2,2-dichloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]furan-2-carboxylate. Its molecular formula is C16H13Cl2NO4. The EINECS registry number is 263-478-1.
The properties of the chemical are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 466.52; (6)ACD/BCF (pH 7.4): 466.52; (7)ACD/KOC (pH 5.5): 2831.25; (8)ACD/KOC (pH 7.4): 2831.26; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.75 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 84.8 cm3; (15)Molar Volume: 247.9 cm3; (16)Polarizability: 33.61×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Enthalpy of Vaporization: 83.15 kJ/mol; (19)Vapour Pressure: 3.37×10-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2cc1c(N(C(=O)C(Cl)Cl)CCC1)cc2)c3occc3
(2)InChI: InChI=1/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2
(3)InChIKey: SBJGFIXQRZOVTO-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| hamster | LD | oral | > 10gm/kg (10000mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 599, 1979. | |
| rat | LD | oral | > 10gm/kg (10000mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 599, 1979. |