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Name |
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl]amino]quinoline-3-carbonitrile |
EINECS | N/A |
CAS No. | 915363-56-3 | Density | 1.45 g/cm3 |
PSA | 94.69000 | LogP | 6.24028 |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H25Cl2FN8 | Boiling Point | 713.3 °C at 760 mmHg |
Molecular Weight | 539.443 | Flash Point | 385.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
8-Chlor-4;8-chloro-;LogP |
The 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl]amino]quinoline-3-carbonitrile, with the CAS registry number of 915363-56-3, is also known as 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile. This chemical's molecular formula is C26H25Cl2FN8 and molecular weight is 539.443. What's more, it systematic name is 8-Chloro-4-(3-chloro-4-fluoro-anilino)-6-[[1-(1-ethyl-4-piperidyl)triazol-4-yl]methylamino]quinoline-3-carbonitrile.
Physical properties about the 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl]amino]quinoline-3-carbonitrile are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 2.9; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 94.69 Å2; (9)Index of Refraction: 1.702; (10) Molar Refractivity: 143.61 cm3; (11)Molar Volume: 370.5 cm3; (12)Surface Tension: 54.9 dyne/cm; (13)Density: 1.45 g/cm3; (14)Flash Point: 385.2 °C; (15)Enthalpy of Vaporization: 104.27 kJ/mol; (16)Boiling Point: 713.3 °C at 760 mmHg; (17)Vapour Pressure: 3.41E-20 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:CCN1CCC(CC1)n2cc(nn2)CNc3cc4c(c(c3)Cl)ncc(c4Nc5ccc(c(c5)Cl)F)C#N
(2) InChI:InChI=1/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33)
(3) InChIKey:PHNZIIMWDVXPGG-UHFFFAOYAN