1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

C20H20N4O2S — CID 71784273

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESO=C(CN1CC(c2nc(-c3ccsc3)no2)C1)N1CCCc2ccccc21
InChIInChI=1S/C20H20N4O2S/c25-18(24-8-3-5-14-4-1-2-6-17(14)24)12-23-10-16(11-23)20-21-19(22-26-20)15-7-9-27-13-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2
InChIKeyKLWXZOFIEMQZQB-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.18
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (PubChem CID 71784273) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
PubChem CID71784273
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESO=C(CN1CC(c2nc(-c3ccsc3)no2)C1)N1CCCc2ccccc21
InChIInChI=1S/C20H20N4O2S/c25-18(24-8-3-5-14-4-1-2-6-17(14)24)12-23-10-16(11-23)20-21-19(22-26-20)15-7-9-27-13-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2
InChIKeyKLWXZOFIEMQZQB-UHFFFAOYSA-N
XLogP3.18
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 90509084
2-[2-oxo-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethyl]isoindole-1,3-dione
CID 121097155
2-benzylsulfanyl-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097107
1-(2,3-dihydroindol-1-yl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone;oxalic acid
CID 71783895
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid
CID 71783664
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
CID 50837969
2,2-dimethyl-1-[(3R)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 99021860
(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097181
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097329
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097186

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (CID 71784273) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is O=C(CN1CC(c2nc(-c3ccsc3)no2)C1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The InChIKey is KLWXZOFIEMQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-18(24-8-3-5-14-4-1-2-6-17(14)24)12-23-10-16(11-23)20-21-19(22-26-20)15-7-9-27-13-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone has a molecular weight of 380.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 71784273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).