1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one

C15H17N3O2 — CID 110333640

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1nnc(CCC(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C15H17N3O2/c1-11-16-17-14(20-11)8-9-15(19)18-10-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyXCGBSOQMRDSROO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.29
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 110333640) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID110333640
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1nnc(CCC(=O)N2CCCc3ccccc32)o1
InChIInChI=1S/C15H17N3O2/c1-11-16-17-14(20-11)8-9-15(19)18-10-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyXCGBSOQMRDSROO-UHFFFAOYSA-N
XLogP2.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one with MolForge

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Related Compounds

1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 75426751
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 100601838
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 134030103

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 110333640) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1nnc(CCC(=O)N2CCCc3ccccc32)o1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is XCGBSOQMRDSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-16-17-14(20-11)8-9-15(19)18-10-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 271.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 110333640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).