1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione

C22H22ClN3O3 — CID 46357345

IUPAC1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C22H22ClN3O3/c23-17-10-8-16(9-11-17)14-25-18-6-2-3-7-19(18)26(22(29)21(25)28)15-20(27)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2
InChIKeyACJIHCJGECPGKV-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.88
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione

1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione (PubChem CID 46357345) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
PubChem CID46357345
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C22H22ClN3O3/c23-17-10-8-16(9-11-17)14-25-18-6-2-3-7-19(18)26(22(29)21(25)28)15-20(27)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2
InChIKeyACJIHCJGECPGKV-UHFFFAOYSA-N
XLogP2.88
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92867317
1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 46357331
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46357370
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
1-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-ethylquinoxaline-2,3-dione
CID 46375719
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92876374
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 46357411
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999048
3-[(4-chlorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569481
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione (CID 46357345) is 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione is O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione?
The InChIKey is ACJIHCJGECPGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-17-10-8-16(9-11-17)14-25-18-6-2-3-7-19(18)26(22(29)21(25)28)15-20(27)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione?
1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione has a molecular weight of 411.89 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 46357345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).