4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline

C18H20N4S — CID 2514355

IUPAC4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
SMILESCCN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C18H20N4S/c1-2-21-9-11-22(12-10-21)18-14-6-3-4-7-15(14)19-17(20-18)16-8-5-13-23-16/h3-8,13H,2,9-12H2,1H3
InChIKeyBYMXOVGZGJZOBB-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.50
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline

4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline (PubChem CID 2514355) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
PubChem CID2514355
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
SMILESCCN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C18H20N4S/c1-2-21-9-11-22(12-10-21)18-14-6-3-4-7-15(14)19-17(20-18)16-8-5-13-23-16/h3-8,13H,2,9-12H2,1H3
InChIKeyBYMXOVGZGJZOBB-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline 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 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline (CID 2514355) is 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline is CCN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
The InChIKey is BYMXOVGZGJZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-21-9-11-22(12-10-21)18-14-6-3-4-7-15(14)19-17(20-18)16-8-5-13-23-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline has a molecular weight of 324.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2514355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).