3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one

C21H21ClN4O2 — CID 50808145

IUPAC3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H21ClN4O2/c1-2-26-18-9-4-3-8-17(18)23-19(21(26)28)20(27)25-12-10-24(11-13-25)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyDDWAPGAWYJSMLN-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.03
Rot. Bonds3

About 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one (PubChem CID 50808145) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
PubChem CID50808145
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H21ClN4O2/c1-2-26-18-9-4-3-8-17(18)23-19(21(26)28)20(27)25-12-10-24(11-13-25)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3
InChIKeyDDWAPGAWYJSMLN-UHFFFAOYSA-N
XLogP3.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-ethylquinoxalin-2-one
CID 46324941
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 110691694
2-butyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 9146689
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
[5-(3-chloroanilino)-2H-triazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 50929336

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one (CID 50808145) is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one is CCn1c(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one?
The InChIKey is DDWAPGAWYJSMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-2-26-18-9-4-3-8-17(18)23-19(21(26)28)20(27)25-12-10-24(11-13-25)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one?
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one has a molecular weight of 396.88 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one is sourced from PubChem (CID 50808145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).