2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide

C21H20F3N3O2 — CID 142764995

About 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide

2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide (PubChem CID 142764995) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
• PubChem CID: 142764995
• Molecular Formula: C21H20F3N3O2
• Molecular Weight: 403.40 g/mol
• Exact Mass: 403.15
• IUPAC Name: 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
• SMILES: CCc1ccc2cc(C(=O)NC(C)c3ccc(OCC(F)(F)F)nc3)ccc2n1
• InChI: InChI=1S/C21H20F3N3O2/c1-3-17-7-4-14-10-15(5-8-18(14)27-17)20(28)26-13(2)16-6-9-19(25-11-16)29-12-21(22,23)24/h4-11,13H,3,12H2,1-2H3,(H,26,28)
• InChIKey: USBFJWIYUOZGEZ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide?

The IUPAC name of 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide (CID 142764995) is 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide?

The canonical SMILES for 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide is CCc1ccc2cc(C(=O)NC(C)c3ccc(OCC(F)(F)F)nc3)ccc2n1.

What is the InChIKey of 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide?

The InChIKey is USBFJWIYUOZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-3-17-7-4-14-10-15(5-8-18(14)27-17)20(28)26-13(2)16-6-9-19(25-11-16)29-12-21(22,23)24/h4-11,13H,3,12H2,1-2H3,(H,26,28).

What are the key properties of 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide?

2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 142764995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).