3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one

C14H14N2O2 — CID 166302710

IUPAC3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
SMILESO=C(Cc1c[nH]c2ccccc2c1=O)N1CCC1
InChIInChI=1S/C14H14N2O2/c17-13(16-6-3-7-16)8-10-9-15-12-5-2-1-4-11(12)14(10)18/h1-2,4-5,9H,3,6-8H2,(H,15,18)
InChIKeyWXMIEUNPEJIMMX-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.30
Rot. Bonds2

About 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one

3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one (PubChem CID 166302710) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
PubChem CID166302710
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
SMILESO=C(Cc1c[nH]c2ccccc2c1=O)N1CCC1
InChIInChI=1S/C14H14N2O2/c17-13(16-6-3-7-16)8-10-9-15-12-5-2-1-4-11(12)14(10)18/h1-2,4-5,9H,3,6-8H2,(H,15,18)
InChIKeyWXMIEUNPEJIMMX-UHFFFAOYSA-N
XLogP1.30
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
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CID 110806405
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
2-(1H-indol-3-yl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110807857
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one?
The IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one (CID 166302710) is 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one is O=C(Cc1c[nH]c2ccccc2c1=O)N1CCC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one?
The InChIKey is WXMIEUNPEJIMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13(16-6-3-7-16)8-10-9-15-12-5-2-1-4-11(12)14(10)18/h1-2,4-5,9H,3,6-8H2,(H,15,18).
What are the key properties of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one?
3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one is sourced from PubChem (CID 166302710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).