2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide

C21H19F3N4O2 — CID 108542144

IUPAC2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNC(=O)c3ccc(C(F)(F)F)cc3)cc2nc1C
InChIInChI=1S/C21H19F3N4O2/c1-12-13(2)28-18-11-15(5-8-17(18)27-12)20(30)26-10-9-25-19(29)14-3-6-16(7-4-14)21(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKWRBUEOMUCERTJ-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.43
Rot. Bonds5

About 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide (PubChem CID 108542144) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
PubChem CID108542144
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCNC(=O)c3ccc(C(F)(F)F)cc3)cc2nc1C
InChIInChI=1S/C21H19F3N4O2/c1-12-13(2)28-18-11-15(5-8-17(18)27-12)20(30)26-10-9-25-19(29)14-3-6-16(7-4-14)21(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKWRBUEOMUCERTJ-UHFFFAOYSA-N
XLogP3.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
CID 47066065
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795619
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
CID 108573350
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108542124

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide (CID 108542144) is 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCNC(=O)c3ccc(C(F)(F)F)cc3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide?
The InChIKey is KWRBUEOMUCERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-12-13(2)28-18-11-15(5-8-17(18)27-12)20(30)26-10-9-25-19(29)14-3-6-16(7-4-14)21(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 108542144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).