2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline

C21H19F3N2O — CID 18570660

IUPAC2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
SMILESFC(F)(F)c1cccc(COc2cccc3ccc(N4CCCC4)nc23)c1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)17-7-3-5-15(13-17)14-27-18-8-4-6-16-9-10-19(25-20(16)18)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2
InChIKeyZHTILEGMCPXDFW-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.43
Rot. Bonds4

About 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline

2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline (PubChem CID 18570660) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
PubChem CID18570660
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
SMILESFC(F)(F)c1cccc(COc2cccc3ccc(N4CCCC4)nc23)c1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)17-7-3-5-15(13-17)14-27-18-8-4-6-16-9-10-19(25-20(16)18)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2
InChIKeyZHTILEGMCPXDFW-UHFFFAOYSA-N
XLogP5.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
The IUPAC name of 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline (CID 18570660) is 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline.
What is the SMILES notation for 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
The canonical SMILES for 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline is FC(F)(F)c1cccc(COc2cccc3ccc(N4CCCC4)nc23)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
The InChIKey is ZHTILEGMCPXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c22-21(23,24)17-7-3-5-15(13-17)14-27-18-8-4-6-16-9-10-19(25-20(16)18)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2.
What are the key properties of 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline has a molecular weight of 372.39 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline is sourced from PubChem (CID 18570660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).