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

C22H19FN4S — CID 2469099

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESFc1ccccc1N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H19FN4S/c23-17-7-2-4-9-19(17)26-11-13-27(14-12-26)22-16-6-1-3-8-18(16)24-21(25-22)20-10-5-15-28-20/h1-10,15H,11-14H2
InChIKeyHYHJXIMSPXTCGI-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.82
Rot. Bonds3

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

4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 2469099) has the molecular formula C22H19FN4S and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID2469099
Molecular FormulaC22H19FN4S
Molecular Weight390.49 g/mol
Exact Mass390.13
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESFc1ccccc1N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H19FN4S/c23-17-7-2-4-9-19(17)26-11-13-27(14-12-26)22-16-6-1-3-8-18(16)24-21(25-22)20-10-5-15-28-20/h1-10,15H,11-14H2
InChIKeyHYHJXIMSPXTCGI-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 2469099) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline is Fc1ccccc1N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is HYHJXIMSPXTCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4S/c23-17-7-2-4-9-19(17)26-11-13-27(14-12-26)22-16-6-1-3-8-18(16)24-21(25-22)20-10-5-15-28-20/h1-10,15H,11-14H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 390.49 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2469099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).