2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone

C21H21ClN4O — CID 133324787

IUPAC2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN4O/c1-15-21(24-19-8-3-2-7-18(19)23-15)26-11-9-25(10-12-26)20(27)14-16-5-4-6-17(22)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyXCPBJWCQAXTYFQ-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone

2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone (PubChem CID 133324787) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
PubChem CID133324787
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
SMILESCc1nc2ccccc2nc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H21ClN4O/c1-15-21(24-19-8-3-2-7-18(19)23-15)26-11-9-25(10-12-26)20(27)14-16-5-4-6-17(22)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyXCPBJWCQAXTYFQ-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133324791
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 133328432
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763865
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2-(3-chlorophenyl)-1-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]ethanone
CID 53198339
1-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 110194555

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone (CID 133324787) is 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone is Cc1nc2ccccc2nc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is XCPBJWCQAXTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15-21(24-19-8-3-2-7-18(19)23-15)26-11-9-25(10-12-26)20(27)14-16-5-4-6-17(22)13-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 380.88 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133324787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).