N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C21H19F3N4O2 — CID 118273479

About N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273479) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
• PubChem CID: 118273479
• Molecular Formula: C21H19F3N4O2
• Molecular Weight: 416.40 g/mol
• Exact Mass: 416.15
• IUPAC Name: N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
• SMILES: O=C(NC[C@H]1CCCN1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
• InChI: InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-8-19(26-11-14)30-16-5-7-17-13(10-16)3-6-18(28-17)20(29)27-12-15-2-1-9-25-15/h3-8,10-11,15,25H,1-2,9,12H2,(H,27,29)/t15-/m1/s1
• InChIKey: LNRAISBQMUBBOG-OAHLLOKOSA-N
• XLogP: 3.92
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.40
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273479) is N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

What is the SMILES notation for N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The canonical SMILES for N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is O=C(NC[C@H]1CCCN1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.

What is the InChIKey of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

The InChIKey is LNRAISBQMUBBOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-8-19(26-11-14)30-16-5-7-17-13(10-16)3-6-18(28-17)20(29)27-12-15-2-1-9-25-15/h3-8,10-11,15,25H,1-2,9,12H2,(H,27,29)/t15-/m1/s1.

What are the key properties of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?

N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).