1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile

C22H17F3N4O2 — CID 118273357

IUPAC1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)16-2-6-20(27-13-16)31-17-3-5-18-15(11-17)1-4-19(28-18)21(30)29-9-7-14(12-26)8-10-29/h1-6,11,13-14H,7-10H2
InChIKeyCPTINAWEICFQJI-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.82
Rot. Bonds3

About 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile

1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile (PubChem CID 118273357) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile
PubChem CID118273357
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)16-2-6-20(27-13-16)31-17-3-5-18-15(11-17)1-4-19(28-18)21(30)29-9-7-14(12-26)8-10-29/h1-6,11,13-14H,7-10H2
InChIKeyCPTINAWEICFQJI-UHFFFAOYSA-N
XLogP4.82
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile (CID 118273357) is 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1.
What is the InChIKey of 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile?
The InChIKey is CPTINAWEICFQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)16-2-6-20(27-13-16)31-17-3-5-18-15(11-17)1-4-19(28-18)21(30)29-9-7-14(12-26)8-10-29/h1-6,11,13-14H,7-10H2.
What are the key properties of 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile?
1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile has a molecular weight of 426.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 118273357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).