1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C21H23N3O2S — CID 55674117

About 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 55674117) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 55674117
• Molecular Formula: C21H23N3O2S
• Molecular Weight: 381.50 g/mol
• Exact Mass: 381.15
• IUPAC Name: 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: CC(C)c1ccc2c(c1)CCCN2C(=O)CCc1nnc(-c2ccsc2)o1
• InChI: InChI=1S/C21H23N3O2S/c1-14(2)15-5-6-18-16(12-15)4-3-10-24(18)20(25)8-7-19-22-23-21(26-19)17-9-11-27-13-17/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3
• InChIKey: COACVRUFSACACT-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.50
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The IUPAC name of 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 55674117) is 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

What is the SMILES notation for 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The canonical SMILES for 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CC(C)c1ccc2c(c1)CCCN2C(=O)CCc1nnc(-c2ccsc2)o1.

What is the InChIKey of 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The InChIKey is COACVRUFSACACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)15-5-6-18-16(12-15)4-3-10-24(18)20(25)8-7-19-22-23-21(26-19)17-9-11-27-13-17/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3.

What are the key properties of 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 381.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 55674117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).