2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide

C15H15F3N4O2 — CID 47066065

IUPAC2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(=O)NCC(F)(F)F)cc2nc1C
InChIInChI=1S/C15H15F3N4O2/c1-8-9(2)22-12-5-10(3-4-11(12)21-8)14(24)19-6-13(23)20-7-15(16,17)18/h3-5H,6-7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyCKUBVCBNHDURTP-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.65
Rot. Bonds4

About 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide (PubChem CID 47066065) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
PubChem CID47066065
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(=O)NCC(F)(F)F)cc2nc1C
InChIInChI=1S/C15H15F3N4O2/c1-8-9(2)22-12-5-10(3-4-11(12)21-8)14(24)19-6-13(23)20-7-15(16,17)18/h3-5H,6-7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyCKUBVCBNHDURTP-UHFFFAOYSA-N
XLogP1.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407085
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110305572
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 119737424
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916963
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide (CID 47066065) is 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCC(=O)NCC(F)(F)F)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide?
The InChIKey is CKUBVCBNHDURTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8-9(2)22-12-5-10(3-4-11(12)21-8)14(24)19-6-13(23)20-7-15(16,17)18/h3-5H,6-7H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.65, 4 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-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 47066065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).