2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone

C17H15NOS — CID 63222293

IUPAC2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone
SMILESCCc1ccc(CC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C17H15NOS/c1-2-13-8-9-14(20-13)11-17(19)16-10-7-12-5-3-4-6-15(12)18-16/h3-10H,2,11H2,1H3
InChIKeyXVPNYEYCUYEIKY-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.28
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone

2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone (PubChem CID 63222293) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone
PubChem CID63222293
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone
SMILESCCc1ccc(CC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C17H15NOS/c1-2-13-8-9-14(20-13)11-17(19)16-10-7-12-5-3-4-6-15(12)18-16/h3-10H,2,11H2,1H3
InChIKeyXVPNYEYCUYEIKY-UHFFFAOYSA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone (CID 63222293) is 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone is CCc1ccc(CC(=O)c2ccc3ccccc3n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone?
The InChIKey is XVPNYEYCUYEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-2-13-8-9-14(20-13)11-17(19)16-10-7-12-5-3-4-6-15(12)18-16/h3-10H,2,11H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone?
2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-quinolin-2-ylethanone is sourced from PubChem (CID 63222293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).