3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

C20H18F3N3O2 — CID 50779865

IUPAC3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-4-28-19-17(25-15-8-11(2)12(3)9-16(15)26-19)18(27)24-14-7-5-6-13(10-14)20(21,22)23/h5-10H,4H2,1-3H3,(H,24,27)
InChIKeyVTNFWBHGYOGJBS-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.92
Rot. Bonds4

About 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 50779865) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
PubChem CID50779865
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-4-28-19-17(25-15-8-11(2)12(3)9-16(15)26-19)18(27)24-14-7-5-6-13(10-14)20(21,22)23/h5-10H,4H2,1-3H3,(H,24,27)
InChIKeyVTNFWBHGYOGJBS-UHFFFAOYSA-N
XLogP4.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (CID 50779865) is 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is VTNFWBHGYOGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-4-28-19-17(25-15-8-11(2)12(3)9-16(15)26-19)18(27)24-14-7-5-6-13(10-14)20(21,22)23/h5-10H,4H2,1-3H3,(H,24,27).
What are the key properties of 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6,7-dimethyl-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 50779865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).