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| CAS No.: | 170449-18-0 |
|---|---|
| Name: | 6,7-Dimethoxy-4-[N-(3-chlorophenyl)amino]quinazoline hydrochloride |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C16H15Cl2N3O2 |
| Molecular Weight: | 352.22 |
| Synonyms: | 4-Quinazolinamine,N-(3-chlorophenyl)-6,7-dimethoxy-, monohydrochloride (9CI);6,7-Dimethoxy-4-[N-(3-chlorophenyl)amino]quinazoline hydrochloride; |
| Density: | 1.337 g/cm3 |
| Melting Point: | 230-235 °C |
| Boiling Point: | 458.5 °C at 760mmHg |
| Flash Point: | 231.1 °C |
| Solubility: | Soluble to 5 mM in DMSO |
| PSA: | 56.27000 |
| LogP: | 4.91900 |
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Specification
The Tyrphostin AG 1478 is an organic compound with C16H15Cl2N3O2. The IUPAC name of this chemical is N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride. With the CAS registry number 170449-18-0, it is also named as 4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-, monohydrochloride. The classification code is Enzyme inhibitors. In addition, it preferentially inhibits human glioma cells expressing truncated rather than wild-type epidermal growth factor receptors.
The other characteristics of Tyrphostin AG 1478 can be summarized as: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 23.67; (6)ACD/BCF (pH 7.4): 31.17; (7)ACD/KOC (pH 5.5): 309.55; (8)ACD/KOC (pH 7.4): 407.67; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 231.1 °C; (13)Enthalpy of Vaporization: 71.88 kJ/mol; (14)Boiling Point: 458.5 °C at 760 mmHg; (15)Vapour Pressure: 1.37E-08 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Tautomer Count: 3; (18)Exact Mass: 351.054132; (19)MonoIsotopic Mass: 351.054132; (20)Topological Polar Surface Area: 56.3; (21)Heavy Atom Count: 23; (22)Complexity: 360.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Clc1cccc(c1)Nc3ncnc2c3cc(OC)c(OC)c2
2. InChI:InChI=1/C16H14ClN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H