4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline

C17H19F3N2O — CID 133402824

IUPAC4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCCOCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C17H19F3N2O/c1-2-23-11-12-6-8-22(10-12)16-5-7-21-15-9-13(17(18,19)20)3-4-14(15)16/h3-5,7,9,12H,2,6,8,10-11H2,1H3
InChIKeyVBTIJZQMLQPAKM-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.12
Rot. Bonds4

About 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline

4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline (PubChem CID 133402824) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
PubChem CID133402824
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCCOCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C17H19F3N2O/c1-2-23-11-12-6-8-22(10-12)16-5-7-21-15-9-13(17(18,19)20)3-4-14(15)16/h3-5,7,9,12H,2,6,8,10-11H2,1H3
InChIKeyVBTIJZQMLQPAKM-UHFFFAOYSA-N
XLogP4.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline (CID 133402824) is 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline is CCOCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1.
What is the InChIKey of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is VBTIJZQMLQPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-2-23-11-12-6-8-22(10-12)16-5-7-21-15-9-13(17(18,19)20)3-4-14(15)16/h3-5,7,9,12H,2,6,8,10-11H2,1H3.
What are the key properties of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 324.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 133402824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).