1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone

C24H21FN4O2S — CID 24585532

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone
SMILESO=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H21FN4O2S/c25-18-7-2-4-9-20(18)28-11-13-29(14-12-28)22(30)16-32-24-17-6-1-3-8-19(17)26-23(27-24)21-10-5-15-31-21/h1-10,15H,11-14,16H2
InChIKeyXUSNBSPILSQLMT-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.47
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone (PubChem CID 24585532) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone
PubChem CID24585532
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone
SMILESO=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H21FN4O2S/c25-18-7-2-4-9-20(18)28-11-13-29(14-12-28)22(30)16-32-24-17-6-1-3-8-19(17)26-23(27-24)21-10-5-15-31-21/h1-10,15H,11-14,16H2
InChIKeyXUSNBSPILSQLMT-UHFFFAOYSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone (CID 24585532) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone is O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone?
The InChIKey is XUSNBSPILSQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-18-7-2-4-9-20(18)28-11-13-29(14-12-28)22(30)16-32-24-17-6-1-3-8-19(17)26-23(27-24)21-10-5-15-31-21/h1-10,15H,11-14,16H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone has a molecular weight of 448.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanone is sourced from PubChem (CID 24585532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).