1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

C20H19N3O2S — CID 42749505

IUPAC1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C20H19N3O2S/c1-14(24)22-7-9-23(10-8-22)20(25)17-12-19(15-6-11-26-13-15)21-18-5-3-2-4-16(17)18/h2-6,11-13H,7-10H2,1H3
InChIKeyYOAPXRRCPWCFKN-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.27
Rot. Bonds2

About 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 42749505) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID42749505
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C20H19N3O2S/c1-14(24)22-7-9-23(10-8-22)20(25)17-12-19(15-6-11-26-13-15)21-18-5-3-2-4-16(17)18/h2-6,11-13H,7-10H2,1H3
InChIKeyYOAPXRRCPWCFKN-UHFFFAOYSA-N
XLogP3.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (CID 42749505) is 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(-c3ccsc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is YOAPXRRCPWCFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(24)22-7-9-23(10-8-22)20(25)17-12-19(15-6-11-26-13-15)21-18-5-3-2-4-16(17)18/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42749505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).