1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone

C15H16N2O — CID 70440018

IUPAC1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone
SMILESCC(=O)c1ccc2cccc(N3CCCC3)c2n1
InChIInChI=1S/C15H16N2O/c1-11(18)13-8-7-12-5-4-6-14(15(12)16-13)17-9-2-3-10-17/h4-8H,2-3,9-10H2,1H3
InChIKeyLVKJUXALEOWIEH-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds2

About 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone

1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone (PubChem CID 70440018) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone
PubChem CID70440018
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone
SMILESCC(=O)c1ccc2cccc(N3CCCC3)c2n1
InChIInChI=1S/C15H16N2O/c1-11(18)13-8-7-12-5-4-6-14(15(12)16-13)17-9-2-3-10-17/h4-8H,2-3,9-10H2,1H3
InChIKeyLVKJUXALEOWIEH-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone?
The IUPAC name of 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone (CID 70440018) is 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone?
The canonical SMILES for 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone is CC(=O)c1ccc2cccc(N3CCCC3)c2n1.
What is the InChIKey of 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone?
The InChIKey is LVKJUXALEOWIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)13-8-7-12-5-4-6-14(15(12)16-13)17-9-2-3-10-17/h4-8H,2-3,9-10H2,1H3.
What are the key properties of 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone?
1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone is sourced from PubChem (CID 70440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).