4-(2-ethylpyrrolidin-3-yl)quinoline

C15H18N2 — CID 63868928

IUPAC4-(2-ethylpyrrolidin-3-yl)quinoline
SMILESCCC1NCCC1c1ccnc2ccccc12
InChIInChI=1S/C15H18N2/c1-2-14-13(8-10-16-14)11-7-9-17-15-6-4-3-5-12(11)15/h3-7,9,13-14,16H,2,8,10H2,1H3
InChIKeyDNVVEUODFRFXDY-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.09
Rot. Bonds2

About 4-(2-ethylpyrrolidin-3-yl)quinoline

4-(2-ethylpyrrolidin-3-yl)quinoline (PubChem CID 63868928) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-3-yl)quinoline.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-3-yl)quinoline
PubChem CID63868928
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(2-ethylpyrrolidin-3-yl)quinoline
SMILESCCC1NCCC1c1ccnc2ccccc12
InChIInChI=1S/C15H18N2/c1-2-14-13(8-10-16-14)11-7-9-17-15-6-4-3-5-12(11)15/h3-7,9,13-14,16H,2,8,10H2,1H3
InChIKeyDNVVEUODFRFXDY-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-3-yl)quinoline?
The IUPAC name of 4-(2-ethylpyrrolidin-3-yl)quinoline (CID 63868928) is 4-(2-ethylpyrrolidin-3-yl)quinoline.
What is the SMILES notation for 4-(2-ethylpyrrolidin-3-yl)quinoline?
The canonical SMILES for 4-(2-ethylpyrrolidin-3-yl)quinoline is CCC1NCCC1c1ccnc2ccccc12.
What is the InChIKey of 4-(2-ethylpyrrolidin-3-yl)quinoline?
The InChIKey is DNVVEUODFRFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-14-13(8-10-16-14)11-7-9-17-15-6-4-3-5-12(11)15/h3-7,9,13-14,16H,2,8,10H2,1H3.
What are the key properties of 4-(2-ethylpyrrolidin-3-yl)quinoline?
4-(2-ethylpyrrolidin-3-yl)quinoline has a molecular weight of 226.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-3-yl)quinoline is sourced from PubChem (CID 63868928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).