2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide

C22H22F3N3O2 — CID 46284874

IUPAC2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(C(C)C(=O)NCc3ccccc3C)c2cc1C
InChIInChI=1S/C22H22F3N3O2/c1-12-7-5-6-8-16(12)11-26-20(29)15(4)28-18-10-14(3)13(2)9-17(18)27-19(21(28)30)22(23,24)25/h5-10,15H,11H2,1-4H3,(H,26,29)
InChIKeyYQSLSQXKBKXYJI-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.22
Rot. Bonds4

About 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide

2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 46284874) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID46284874
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1cc2nc(C(F)(F)F)c(=O)n(C(C)C(=O)NCc3ccccc3C)c2cc1C
InChIInChI=1S/C22H22F3N3O2/c1-12-7-5-6-8-16(12)11-26-20(29)15(4)28-18-10-14(3)13(2)9-17(18)27-19(21(28)30)22(23,24)25/h5-10,15H,11H2,1-4H3,(H,26,29)
InChIKeyYQSLSQXKBKXYJI-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide (CID 46284874) is 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide is Cc1cc2nc(C(F)(F)F)c(=O)n(C(C)C(=O)NCc3ccccc3C)c2cc1C.
What is the InChIKey of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is YQSLSQXKBKXYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-12-7-5-6-8-16(12)11-26-20(29)15(4)28-18-10-14(3)13(2)9-17(18)27-19(21(28)30)22(23,24)25/h5-10,15H,11H2,1-4H3,(H,26,29).
What are the key properties of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 417.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46284874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).