3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one

C20H21N3O2S — CID 136531723

IUPAC3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(c1ccsc1)N1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C20H21N3O2S/c1-14(15-6-11-26-13-15)22-7-9-23(10-8-22)20(25)17-12-21-18-5-3-2-4-16(18)19(17)24/h2-6,11-14H,7-10H2,1H3,(H,21,24)
InChIKeyXQOWYXAVYNHZDP-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.11
Rot. Bonds3

About 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one

3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 136531723) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID136531723
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCC(c1ccsc1)N1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1
InChIInChI=1S/C20H21N3O2S/c1-14(15-6-11-26-13-15)22-7-9-23(10-8-22)20(25)17-12-21-18-5-3-2-4-16(18)19(17)24/h2-6,11-14H,7-10H2,1H3,(H,21,24)
InChIKeyXQOWYXAVYNHZDP-UHFFFAOYSA-N
XLogP3.11
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 136512739
3-(2,2-dimethylthiomorpholine-4-carbonyl)-1H-quinolin-4-one
CID 71975257
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 47087719
(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 8597001
(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 166268517
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 81197737

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one (CID 136531723) is 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one is CC(c1ccsc1)N1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1.
What is the InChIKey of 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is XQOWYXAVYNHZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(15-6-11-26-13-15)22-7-9-23(10-8-22)20(25)17-12-21-18-5-3-2-4-16(18)19(17)24/h2-6,11-14H,7-10H2,1H3,(H,21,24).
What are the key properties of 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 367.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 136531723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).