 Home > Encyclopedia > 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile

8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile

8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile structure

CAS No:
915365-57-0
Formula:
C27H27Cl2FN8
Chemical Name:
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile
Synonyms:
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile;6-[[[1-[2-(Azepan-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-8-chloro-4-[(3-chloro-4-fluorophenyl)amino]quinoline-3-carbonitrile;Cot inhibitor-1;3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)aMino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]Methyl]aMino]-
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Cot inhibitor-1 is a COT/Tpl2 inhibitor.

8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile Basic Attributes

Molecular Weight：

553.47

Exact Mass：

552.17200

DSSTox ID：

DTXSID70468951

Characteristics

PSA：

94.69000

XLogP3：

6.45948

Density：

1.42g/cm3

Boiling Point：

729.961ºC at 760 mmHg

Flash Point：

395.267ºC

Refractive Index：

1.692

Computed Properties

Molecular Weight:553.5
XLogP3:5.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:552.1719764
Monoisotopic Mass:552.1719764
Topological Polar Surface Area:94.7
Heavy Atom Count:38
Complexity:792
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Cot inhibitor-1

CAS No.: 915365-57-0

Content: 0.98%

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Guide of 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile

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Basic Attributes
Characteristics
Computed Properties
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8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile

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