1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C23H25N3O3S — CID 53025766

IUPAC1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc2c(c1)NC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)c1cccn1-2
InChIInChI=1S/C23H25N3O3S/c1-29-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)30(27,28)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3
InChIKeyGDBQAPWDKZYZRQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.73
Rot. Bonds4

About 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53025766) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53025766
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESCOc1ccc2c(c1)NC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)c1cccn1-2
InChIInChI=1S/C23H25N3O3S/c1-29-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)30(27,28)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3
InChIKeyGDBQAPWDKZYZRQ-UHFFFAOYSA-N
XLogP3.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

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Related Compounds

1'-(2-chlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025780
1'-(3,4-dichlorophenyl)sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025786
7-methoxy-1'-(1-phenylethyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 70814251
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
CID 110212525
CID 110212525
1'-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025782
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025698
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
CID 95794118
CID 95794118

Frequently Asked Questions

What is the IUPAC name of 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53025766) is 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is COc1ccc2c(c1)NC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)c1cccn1-2.
What is the InChIKey of 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is GDBQAPWDKZYZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-29-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)30(27,28)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3.
What are the key properties of 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 423.54 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylsulfonyl-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53025766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).