7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C25H29N3O3S — CID 53025757

IUPAC7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC1)c1cccn1-2
InChIInChI=1S/C25H29N3O3S/c1-17-14-18(2)24(19(3)15-17)32(29,30)27-12-9-25(10-13-27)23-6-5-11-28(23)22-8-7-20(31-4)16-21(22)26-25/h5-8,11,14-16,26H,9-10,12-13H2,1-4H3
InChIKeyLQOVPDAIXCPLBV-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.52
Rot. Bonds3

About 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53025757) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53025757
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC1)c1cccn1-2
InChIInChI=1S/C25H29N3O3S/c1-17-14-18(2)24(19(3)15-17)32(29,30)27-12-9-25(10-13-27)23-6-5-11-28(23)22-8-7-20(31-4)16-21(22)26-25/h5-8,11,14-16,26H,9-10,12-13H2,1-4H3
InChIKeyLQOVPDAIXCPLBV-UHFFFAOYSA-N
XLogP4.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

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Related Compounds

1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025766
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
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
N-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
CID 53025777
5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 70814171
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025698
1'-(4-methoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058045
1'-(5-chloro-2-methoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025716

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53025757) is 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC1)c1cccn1-2.
What is the InChIKey of 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is LQOVPDAIXCPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17-14-18(2)24(19(3)15-17)32(29,30)27-12-9-25(10-13-27)23-6-5-11-28(23)22-8-7-20(31-4)16-21(22)26-25/h5-8,11,14-16,26H,9-10,12-13H2,1-4H3.
What are the key properties of 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 451.59 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-(2,4,6-trimethylphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53025757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).