 Home > Encyclopedia > 2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile

2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile

2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile structure

CAS No:
311773-55-4
Formula:
C23H16ClF3N4O3
Chemical Name:
2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile
Synonyms:
3-Quinolinecarbonitrile,2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-;2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile

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2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile Basic Attributes

Molecular Weight：

488.851

Exact Mass：

488.85

Characteristics

PSA：

116 Å²

Density：

1.54±0.1 g/cm3(Predicted)

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:488.8
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:488.0863026
Monoisotopic Mass:488.0863026
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:980
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-3-quinolinecarbonitrile

SDS

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