(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

C18H17N3OS — CID 108741624

IUPAC(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H17N3OS/c22-18(16-6-3-13-23-16)21-11-9-20(10-12-21)17-8-7-14-4-1-2-5-15(14)19-17/h1-8,13H,9-12H2
InChIKeyNYWUALVUGJORNA-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.26
Rot. Bonds2

About (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 108741624) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID108741624
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H17N3OS/c22-18(16-6-3-13-23-16)21-11-9-20(10-12-21)17-8-7-14-4-1-2-5-15(14)19-17/h1-8,13H,9-12H2
InChIKeyNYWUALVUGJORNA-UHFFFAOYSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone with MolForge

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Related Compounds

phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133358272
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 162718253
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 3030200
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873

Frequently Asked Questions

What is the IUPAC name of (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 108741624) is (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is NYWUALVUGJORNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(16-6-3-13-23-16)21-11-9-20(10-12-21)17-8-7-14-4-1-2-5-15(14)19-17/h1-8,13H,9-12H2.
What are the key properties of (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 323.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 108741624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).