1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one

C26H23FN4O2 — CID 50837561

IUPAC1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
SMILESO=C(c1ccccc1F)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C26H23FN4O2/c27-21-11-5-4-10-20(21)25(32)30-16-14-29(15-17-30)24-26(33)31(18-19-8-2-1-3-9-19)23-13-7-6-12-22(23)28-24/h1-13H,14-18H2
InChIKeyVAHCNWAIMUEOQE-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.55
Rot. Bonds4

About 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one

1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one (PubChem CID 50837561) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
PubChem CID50837561
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
SMILESO=C(c1ccccc1F)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C26H23FN4O2/c27-21-11-5-4-10-20(21)25(32)30-16-14-29(15-17-30)24-26(33)31(18-19-8-2-1-3-9-19)23-13-7-6-12-22(23)28-24/h1-13H,14-18H2
InChIKeyVAHCNWAIMUEOQE-UHFFFAOYSA-N
XLogP3.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
CID 50837579
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one (CID 50837561) is 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one is O=C(c1ccccc1F)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one?
The InChIKey is VAHCNWAIMUEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c27-21-11-5-4-10-20(21)25(32)30-16-14-29(15-17-30)24-26(33)31(18-19-8-2-1-3-9-19)23-13-7-6-12-22(23)28-24/h1-13H,14-18H2.
What are the key properties of 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one?
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one has a molecular weight of 442.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 50837561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).