1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone

C24H24BrN3O2 — CID 70814253

IUPAC1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(Br)cc2-n2cccc23)cc1
InChIInChI=1S/C24H24BrN3O2/c1-30-19-7-4-17(5-8-19)15-23(29)27-13-10-24(11-14-27)22-3-2-12-28(22)21-16-18(25)6-9-20(21)26-24/h2-9,12,16,26H,10-11,13-15H2,1H3
InChIKeyXTGBGFFFPREGMC-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.73
Rot. Bonds3

About 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone

1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 70814253) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID70814253
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(Br)cc2-n2cccc23)cc1
InChIInChI=1S/C24H24BrN3O2/c1-30-19-7-4-17(5-8-19)15-23(29)27-13-10-24(11-14-27)22-3-2-12-28(22)21-16-18(25)6-9-20(21)26-24/h2-9,12,16,26H,10-11,13-15H2,1H3
InChIKeyXTGBGFFFPREGMC-UHFFFAOYSA-N
XLogP4.73
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 53025823
3-(benzotriazol-1-yl)-1-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 16674622
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 70814273
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
CID 14944974
1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone (CID 70814253) is 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(Br)cc2-n2cccc23)cc1.
What is the InChIKey of 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is XTGBGFFFPREGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-30-19-7-4-17(5-8-19)15-23(29)27-13-10-24(11-14-27)22-3-2-12-28(22)21-16-18(25)6-9-20(21)26-24/h2-9,12,16,26H,10-11,13-15H2,1H3.
What are the key properties of 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone?
1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 466.38 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 70814253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).