1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone

C24H26FN5O2S — CID 22332625

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN5O2S/c25-18-5-7-19(8-6-18)28-9-11-29(12-10-28)22(31)17-33-24-23(30-13-15-32-16-14-30)26-20-3-1-2-4-21(20)27-24/h1-8H,9-17H2
InChIKeyUYVZJPPTVNIJMG-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone (PubChem CID 22332625) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
PubChem CID22332625
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN5O2S/c25-18-5-7-19(8-6-18)28-9-11-29(12-10-28)22(31)17-33-24-23(30-13-15-32-16-14-30)26-20-3-1-2-4-21(20)27-24/h1-8H,9-17H2
InChIKeyUYVZJPPTVNIJMG-UHFFFAOYSA-N
XLogP3.05
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone (CID 22332625) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone is O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The InChIKey is UYVZJPPTVNIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c25-18-5-7-19(8-6-18)28-9-11-29(12-10-28)22(31)17-33-24-23(30-13-15-32-16-14-30)26-20-3-1-2-4-21(20)27-24/h1-8H,9-17H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone has a molecular weight of 467.57 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone is sourced from PubChem (CID 22332625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).