1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C25H29N3O4S — CID 53058057

IUPAC1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1
InChIInChI=1S/C25H29N3O4S/c1-17-7-9-20-24(18(17)2)28-13-5-6-23(28)25(26-20)11-14-27(15-12-25)33(29,30)22-16-19(31-3)8-10-21(22)32-4/h5-10,13,16,26H,11-12,14-15H2,1-4H3
InChIKeyCUABICLSPWMQGH-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.22
Rot. Bonds4

About 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53058057) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53058057
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1
InChIInChI=1S/C25H29N3O4S/c1-17-7-9-20-24(18(17)2)28-13-5-6-23(28)25(26-20)11-14-27(15-12-25)33(29,30)22-16-19(31-3)8-10-21(22)32-4/h5-10,13,16,26H,11-12,14-15H2,1-4H3
InChIKeyCUABICLSPWMQGH-UHFFFAOYSA-N
XLogP4.22
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

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Related Compounds

1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058045
1'-(benzenesulfonyl)-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058047
1'-(4-ethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025795
1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025716
1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025757
1'-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025782
1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025766
8-chloro-1'-(2-methylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058022
5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 70814171

Frequently Asked Questions

What is the IUPAC name of 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53058057) is 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1.
What is the InChIKey of 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is CUABICLSPWMQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-17-7-9-20-24(18(17)2)28-13-5-6-23(28)25(26-20)11-14-27(15-12-25)33(29,30)22-16-19(31-3)8-10-21(22)32-4/h5-10,13,16,26H,11-12,14-15H2,1-4H3.
What are the key properties of 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 467.59 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,5-dimethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53058057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).