[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

C24H21N3O2S — CID 2449295

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H21N3O2S/c28-22-9-4-3-8-21(22)26-11-13-27(14-12-26)24(29)18-16-20(23-10-5-15-30-23)25-19-7-2-1-6-17(18)19/h1-10,15-16,28H,11-14H2
InChIKeyOKOSBTISJBOLTP-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.63
Rot. Bonds3

About [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 2449295) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID2449295
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H21N3O2S/c28-22-9-4-3-8-21(22)26-11-13-27(14-12-26)24(29)18-16-20(23-10-5-15-30-23)25-19-7-2-1-6-17(18)19/h1-10,15-16,28H,11-14H2
InChIKeyOKOSBTISJBOLTP-UHFFFAOYSA-N
XLogP4.63
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 2449295) is [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is OKOSBTISJBOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-22-9-4-3-8-21(22)26-11-13-27(14-12-26)24(29)18-16-20(23-10-5-15-30-23)25-19-7-2-1-6-17(18)19/h1-10,15-16,28H,11-14H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 415.52 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 2449295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).