1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone

C19H19N3OS — CID 24733547

IUPAC1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3cccc(-c4ccsc4)c3n2)CC1
InChIInChI=1S/C19H19N3OS/c1-14(23)21-8-10-22(11-9-21)18-6-5-15-3-2-4-17(19(15)20-18)16-7-12-24-13-16/h2-7,12-13H,8-11H2,1H3
InChIKeyCPWSGFPHDHFWLM-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.63
Rot. Bonds2

About 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone

1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 24733547) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone
PubChem CID24733547
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3cccc(-c4ccsc4)c3n2)CC1
InChIInChI=1S/C19H19N3OS/c1-14(23)21-8-10-22(11-9-21)18-6-5-15-3-2-4-17(19(15)20-18)16-7-12-24-13-16/h2-7,12-13H,8-11H2,1H3
InChIKeyCPWSGFPHDHFWLM-UHFFFAOYSA-N
XLogP3.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone (CID 24733547) is 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3cccc(-c4ccsc4)c3n2)CC1.
What is the InChIKey of 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is CPWSGFPHDHFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(23)21-8-10-22(11-9-21)18-6-5-15-3-2-4-17(19(15)20-18)16-7-12-24-13-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone?
1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 337.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-thiophen-3-ylquinolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24733547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).