N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C22H17F5N4O3 — CID 118273994

About N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273994) has the molecular formula C22H17F5N4O3 and a molecular weight of 480.39 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
• PubChem CID: 118273994
• Molecular Formula: C22H17F5N4O3
• Molecular Weight: 480.39 g/mol
• Exact Mass: 480.12
• IUPAC Name: N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
• SMILES: O=C(NCC(=O)N1CCC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
• InChI: InChI=1S/C22H17F5N4O3/c23-21(24)7-8-31(12-21)19(32)11-29-20(33)17-4-1-13-9-15(3-5-16(13)30-17)34-18-6-2-14(10-28-18)22(25,26)27/h1-6,9-10H,7-8,11-12H2,(H,29,33)
• InChIKey: GTFAMXXYQGZHQC-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.39
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273994) is N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is O=C(NCC(=O)N1CCC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.

What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The InChIKey is GTFAMXXYQGZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5N4O3/c23-21(24)7-8-31(12-21)19(32)11-29-20(33)17-4-1-13-9-15(3-5-16(13)30-17)34-18-6-2-14(10-28-18)22(25,26)27/h1-6,9-10H,7-8,11-12H2,(H,29,33).

What are the key properties of N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 480.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).