1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one

C16H20N2O2 — CID 104747483

IUPAC1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one
SMILESCNC(Cn1ccc(=O)c2ccccc21)C1CCOC1
InChIInChI=1S/C16H20N2O2/c1-17-14(12-7-9-20-11-12)10-18-8-6-16(19)13-4-2-3-5-15(13)18/h2-6,8,12,14,17H,7,9-11H2,1H3
InChIKeyLOQMYBKGIGXIIS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one (PubChem CID 104747483) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one
PubChem CID104747483
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one
SMILESCNC(Cn1ccc(=O)c2ccccc21)C1CCOC1
InChIInChI=1S/C16H20N2O2/c1-17-14(12-7-9-20-11-12)10-18-8-6-16(19)13-4-2-3-5-15(13)18/h2-6,8,12,14,17H,7,9-11H2,1H3
InChIKeyLOQMYBKGIGXIIS-UHFFFAOYSA-N
XLogP1.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 104747694
2-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748234
5-methyl-1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-2-one
CID 104747676
2-(2,3-dihydroindol-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113447953
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 104747686
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]quinolin-2-one
CID 104747727
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
N,N'-dimethyl-N'-(2-methylphenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745807
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
N'-(2-fluorophenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745839

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one?
The IUPAC name of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one (CID 104747483) is 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one is CNC(Cn1ccc(=O)c2ccccc21)C1CCOC1.
What is the InChIKey of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one?
The InChIKey is LOQMYBKGIGXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-14(12-7-9-20-11-12)10-18-8-6-16(19)13-4-2-3-5-15(13)18/h2-6,8,12,14,17H,7,9-11H2,1H3.
What are the key properties of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one?
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one has a molecular weight of 272.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]quinolin-4-one is sourced from PubChem (CID 104747483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).