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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

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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 Molecular Structure of 915363-56-3 (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) Hazard Symbols N/A
Synonyms

8-Chlor-4;8-chloro-;LogP

 

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 Specification

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

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