4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline

C23H22N4OS — CID 2566280

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCOc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4OS/c1-28-18-10-8-17(9-11-18)26-12-14-27(15-13-26)23-19-5-2-3-6-20(19)24-22(25-23)21-7-4-16-29-21/h2-11,16H,12-15H2,1H3
InChIKeyJMVGYPUNGWGZML-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.69
Rot. Bonds4

About 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 2566280) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID2566280
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCOc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4OS/c1-28-18-10-8-17(9-11-18)26-12-14-27(15-13-26)23-19-5-2-3-6-20(19)24-22(25-23)21-7-4-16-29-21/h2-11,16H,12-15H2,1H3
InChIKeyJMVGYPUNGWGZML-UHFFFAOYSA-N
XLogP4.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 2566280) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline is COc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is JMVGYPUNGWGZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-28-18-10-8-17(9-11-18)26-12-14-27(15-13-26)23-19-5-2-3-6-20(19)24-22(25-23)21-7-4-16-29-21/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 402.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2566280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).