1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone

C15H16N2O — CID 102543343

IUPAC1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCCC1c1cnc2ccccc2c1
InChIInChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3
InChIKeyFWBBQYJGQHCVEZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.92
Rot. Bonds1

About 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone

1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone (PubChem CID 102543343) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone
PubChem CID102543343
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCCC1c1cnc2ccccc2c1
InChIInChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3
InChIKeyFWBBQYJGQHCVEZ-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone (CID 102543343) is 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone is CC(=O)N1CCCC1c1cnc2ccccc2c1.
What is the InChIKey of 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone?
The InChIKey is FWBBQYJGQHCVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3.
What are the key properties of 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone?
1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-3-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 102543343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).