4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide

C12H14F3N3O — CID 116656087

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN1CCN(C(=O)NCC(F)(F)F)c2ccccc21
InChIInChI=1S/C12H14F3N3O/c1-17-6-7-18(10-5-3-2-4-9(10)17)11(19)16-8-12(13,14)15/h2-5H,6-8H2,1H3,(H,16,19)
InChIKeyKXSFXDNUJUYBAJ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.21
Rot. Bonds1

About 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide

4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 116656087) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID116656087
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN1CCN(C(=O)NCC(F)(F)F)c2ccccc21
InChIInChI=1S/C12H14F3N3O/c1-17-6-7-18(10-5-3-2-4-9(10)17)11(19)16-8-12(13,14)15/h2-5H,6-8H2,1H3,(H,16,19)
InChIKeyKXSFXDNUJUYBAJ-UHFFFAOYSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide (CID 116656087) is 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide is CN1CCN(C(=O)NCC(F)(F)F)c2ccccc21.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is KXSFXDNUJUYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-17-6-7-18(10-5-3-2-4-9(10)17)11(19)16-8-12(13,14)15/h2-5H,6-8H2,1H3,(H,16,19).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide?
4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 116656087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).