(2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C24H22N4OS — CID 17412108

IUPAC(2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C24H22N4OS/c29-24(28-12-10-27(11-13-28)17-19-6-4-14-30-19)21-15-23(18-5-3-9-25-16-18)26-22-8-2-1-7-20(21)22/h1-9,14-16H,10-13,17H2
InChIKeyDTLVZKOZZDRHEB-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.32
Rot. Bonds4

About (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17412108) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID17412108
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name(2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C24H22N4OS/c29-24(28-12-10-27(11-13-28)17-19-6-4-14-30-19)21-15-23(18-5-3-9-25-16-18)26-22-8-2-1-7-20(21)22/h1-9,14-16H,10-13,17H2
InChIKeyDTLVZKOZZDRHEB-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 17412108) is (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DTLVZKOZZDRHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c29-24(28-12-10-27(11-13-28)17-19-6-4-14-30-19)21-15-23(18-5-3-9-25-16-18)26-22-8-2-1-7-20(21)22/h1-9,14-16H,10-13,17H2.
What are the key properties of (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 414.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17412108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).