4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline

C17H22N2O — CID 70953570

IUPAC4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline
SMILESCCC1CC(Oc2ccnc3ccccc23)CN1CC
InChIInChI=1S/C17H22N2O/c1-3-13-11-14(12-19(13)4-2)20-17-9-10-18-16-8-6-5-7-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyLFOIAERHTGDUBL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds4

About 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline

4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline (PubChem CID 70953570) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline.

Molecular Properties

Compound Name4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline
PubChem CID70953570
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline
SMILESCCC1CC(Oc2ccnc3ccccc23)CN1CC
InChIInChI=1S/C17H22N2O/c1-3-13-11-14(12-19(13)4-2)20-17-9-10-18-16-8-6-5-7-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyLFOIAERHTGDUBL-UHFFFAOYSA-N
XLogP3.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline?
The IUPAC name of 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline (CID 70953570) is 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline.
What is the SMILES notation for 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline?
The canonical SMILES for 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline is CCC1CC(Oc2ccnc3ccccc23)CN1CC.
What is the InChIKey of 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline?
The InChIKey is LFOIAERHTGDUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-13-11-14(12-19(13)4-2)20-17-9-10-18-16-8-6-5-7-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline?
4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline has a molecular weight of 270.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-diethylpyrrolidin-3-yl)oxyquinoline is sourced from PubChem (CID 70953570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).