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

C22H22F3N3O2 — CID 92887461

IUPAC(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C22H22F3N3O2/c1-5-17(20(29)27-15-9-7-6-8-12(15)2)28-18-11-14(4)13(3)10-16(18)26-19(21(28)30)22(23,24)25/h6-11,17H,5H2,1-4H3,(H,27,29)/t17-/m0/s1
InChIKeyUQWYYEJDEVQJFW-KRWDZBQOSA-N
MW417.43 g/mol
LogP4.93
Rot. Bonds4

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

(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide (PubChem CID 92887461) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide
PubChem CID92887461
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C22H22F3N3O2/c1-5-17(20(29)27-15-9-7-6-8-12(15)2)28-18-11-14(4)13(3)10-16(18)26-19(21(28)30)22(23,24)25/h6-11,17H,5H2,1-4H3,(H,27,29)/t17-/m0/s1
InChIKeyUQWYYEJDEVQJFW-KRWDZBQOSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887510
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
CID 50761207
(2R)-N-(3,4-dimethoxyphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887516
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 46284874
(2S)-N-(5-chloro-2-methylphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92887481
N-benzyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284818
(2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865089
(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 92865168
(2R)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 92887484
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 50760727
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 42270893
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide?
The IUPAC name of (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide (CID 92887461) is (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide is CC[C@@H](C(=O)Nc1ccccc1C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21.
What is the InChIKey of (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide?
The InChIKey is UQWYYEJDEVQJFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-5-17(20(29)27-15-9-7-6-8-12(15)2)28-18-11-14(4)13(3)10-16(18)26-19(21(28)30)22(23,24)25/h6-11,17H,5H2,1-4H3,(H,27,29)/t17-/m0/s1.
What are the key properties of (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide?
(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide has a molecular weight of 417.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 92887461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).