1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide

C21H20F3N3O2 — CID 53383260

IUPAC1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide
SMILESCC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)C1C(=O)NC(C)C
InChIInChI=1S/C21H20F3N3O2/c1-12(2)25-20(29)19-18(14-8-10-15(11-9-14)21(22,23)24)26-16-6-4-5-7-17(16)27(19)13(3)28/h4-12,19H,1-3H3,(H,25,29)
InChIKeyPVFFWKBOPSZFEH-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.09
Rot. Bonds3

About 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide

1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide (PubChem CID 53383260) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide
PubChem CID53383260
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide
SMILESCC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)C1C(=O)NC(C)C
InChIInChI=1S/C21H20F3N3O2/c1-12(2)25-20(29)19-18(14-8-10-15(11-9-14)21(22,23)24)26-16-6-4-5-7-17(16)27(19)13(3)28/h4-12,19H,1-3H3,(H,25,29)
InChIKeyPVFFWKBOPSZFEH-UHFFFAOYSA-N
XLogP4.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide?
The IUPAC name of 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide (CID 53383260) is 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide?
The canonical SMILES for 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide is CC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)C1C(=O)NC(C)C.
What is the InChIKey of 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide?
The InChIKey is PVFFWKBOPSZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-12(2)25-20(29)19-18(14-8-10-15(11-9-14)21(22,23)24)26-16-6-4-5-7-17(16)27(19)13(3)28/h4-12,19H,1-3H3,(H,25,29).
What are the key properties of 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide?
1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide is sourced from PubChem (CID 53383260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).