1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone

C17H21N3O3S — CID 95329237

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone
SMILESCC(C)c1noc(C[S@@](=O)CC(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C17H21N3O3S/c1-12(2)17-18-15(23-19-17)10-24(22)11-16(21)20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,12H,5,7,9-11H2,1-2H3/t24-/m1/s1
InChIKeyUECNKNZBKCTRNL-XMMPIXPASA-N
MW347.44 g/mol
LogP2.42
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone (PubChem CID 95329237) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone
PubChem CID95329237
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone
SMILESCC(C)c1noc(C[S@@](=O)CC(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C17H21N3O3S/c1-12(2)17-18-15(23-19-17)10-24(22)11-16(21)20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,12H,5,7,9-11H2,1-2H3/t24-/m1/s1
InChIKeyUECNKNZBKCTRNL-XMMPIXPASA-N
XLogP2.42
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(S)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone
CID 95329238
2-benzylsulfinyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 123099535
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 52826046
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 133321313
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
CID 123099669
1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 110677413
3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684715
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 126788015
5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
CID 82683241

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone (CID 95329237) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone is CC(C)c1noc(C[S@@](=O)CC(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone?
The InChIKey is UECNKNZBKCTRNL-XMMPIXPASA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(2)17-18-15(23-19-17)10-24(22)11-16(21)20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,12H,5,7,9-11H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone has a molecular weight of 347.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone is sourced from PubChem (CID 95329237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).