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

C20H19N3O2S — CID 1121266

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C20H19N3O2S/c1-14-7-2-4-10-16(14)19-21-22-20(25-19)26-13-18(24)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKeyZMGMJJBAKPXXLZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.12
Rot. Bonds4

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 1121266) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID1121266
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C20H19N3O2S/c1-14-7-2-4-10-16(14)19-21-22-20(25-19)26-13-18(24)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKeyZMGMJJBAKPXXLZ-UHFFFAOYSA-N
XLogP4.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 1121266) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is Cc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)o1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is ZMGMJJBAKPXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-7-2-4-10-16(14)19-21-22-20(25-19)26-13-18(24)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 4.12, 4 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-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 1121266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).