N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide

C23H24F2N4O2 — CID 25162581

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)cc2nc1CC
InChIInChI=1S/C23H24F2N4O2/c1-4-17-18(5-2)27-20-12-14(10-11-19(20)26-17)23(31)29(6-3)13-21(30)28-22-15(24)8-7-9-16(22)25/h7-12H,4-6,13H2,1-3H3,(H,28,30)
InChIKeyLOSDLRMYPPHYCT-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide (PubChem CID 25162581) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide
PubChem CID25162581
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)cc2nc1CC
InChIInChI=1S/C23H24F2N4O2/c1-4-17-18(5-2)27-20-12-14(10-11-19(20)26-17)23(31)29(6-3)13-21(30)28-22-15(24)8-7-9-16(22)25/h7-12H,4-6,13H2,1-3H3,(H,28,30)
InChIKeyLOSDLRMYPPHYCT-UHFFFAOYSA-N
XLogP4.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide (CID 25162581) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)cc2nc1CC.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide?
The InChIKey is LOSDLRMYPPHYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-4-17-18(5-2)27-20-12-14(10-11-19(20)26-17)23(31)29(6-3)13-21(30)28-22-15(24)8-7-9-16(22)25/h7-12H,4-6,13H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide is sourced from PubChem (CID 25162581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).