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

C20H19FN4O2 — CID 53131472

IUPAC3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(N2CCN(C(=O)c3cccc(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C20H19FN4O2/c1-23-17-8-3-2-7-16(17)22-18(20(23)27)24-9-11-25(12-10-24)19(26)14-5-4-6-15(21)13-14/h2-8,13H,9-12H2,1H3
InChIKeyRFOUYLIIMKVLJW-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.04
Rot. Bonds2

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

3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one (PubChem CID 53131472) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
PubChem CID53131472
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(N2CCN(C(=O)c3cccc(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C20H19FN4O2/c1-23-17-8-3-2-7-16(17)22-18(20(23)27)24-9-11-25(12-10-24)19(26)14-5-4-6-15(21)13-14/h2-8,13H,9-12H2,1H3
InChIKeyRFOUYLIIMKVLJW-UHFFFAOYSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.04
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
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile
CID 1454324
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one?
The IUPAC name of 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one (CID 53131472) is 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one?
The canonical SMILES for 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one is Cn1c(=O)c(N2CCN(C(=O)c3cccc(F)c3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one?
The InChIKey is RFOUYLIIMKVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-23-17-8-3-2-7-16(17)22-18(20(23)27)24-9-11-25(12-10-24)19(26)14-5-4-6-15(21)13-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one?
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one has a molecular weight of 366.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 53131472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).