3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one

C22H22F2N4O2 — CID 53131511

IUPAC3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H22F2N4O2/c1-2-9-28-19-6-4-3-5-18(19)25-20(22(28)30)26-10-12-27(13-11-26)21(29)15-7-8-16(23)17(24)14-15/h3-8,14H,2,9-13H2,1H3
InChIKeyCOEPFJQOXFANJU-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.05
Rot. Bonds4

About 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one

3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53131511) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53131511
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H22F2N4O2/c1-2-9-28-19-6-4-3-5-18(19)25-20(22(28)30)26-10-12-27(13-11-26)21(29)15-7-8-16(23)17(24)14-15/h3-8,14H,2,9-13H2,1H3
InChIKeyCOEPFJQOXFANJU-UHFFFAOYSA-N
XLogP3.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131518
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131472
3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131475
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53131511) is 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is COEPFJQOXFANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-2-9-28-19-6-4-3-5-18(19)25-20(22(28)30)26-10-12-27(13-11-26)21(29)15-7-8-16(23)17(24)14-15/h3-8,14H,2,9-13H2,1H3.
What are the key properties of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 412.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53131511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).