7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

C25H26FN3O2S — CID 53005060

IUPAC7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C25H26FN3O2S/c26-20-8-10-23-22(17-20)27-25(24-6-3-13-29(23)24)11-14-28(15-12-25)32(30,31)21-9-7-18-4-1-2-5-19(18)16-21/h3,6-10,13,16-17,27H,1-2,4-5,11-12,14-15H2
InChIKeyCKCRXZVNUPKLCJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.60
Rot. Bonds2

About 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (PubChem CID 53005060) has the molecular formula C25H26FN3O2S and a molecular weight of 451.57 g/mol. Its IUPAC name is 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].

Molecular Properties

Compound Name7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
PubChem CID53005060
Molecular FormulaC25H26FN3O2S
Molecular Weight451.57 g/mol
Exact Mass451.17
IUPAC Name7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C25H26FN3O2S/c26-20-8-10-23-22(17-20)27-25(24-6-3-13-29(23)24)11-14-28(15-12-25)32(30,31)21-9-7-18-4-1-2-5-19(18)16-21/h3,6-10,13,16-17,27H,1-2,4-5,11-12,14-15H2
InChIKeyCKCRXZVNUPKLCJ-UHFFFAOYSA-N
XLogP4.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] with MolForge

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Related Compounds

1'-(3,4-dichlorophenyl)sulfonyl-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025753
7-fluoro-1'-naphthalen-2-ylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025734
1'-(benzenesulfonyl)-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025701
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'-(3-chlorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005046
5'-ethyl-7'-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
CID 52998520
1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
7-methyl-1'-methylsulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025698
1'-(2-fluorophenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53005048
1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025683
(5-bromofuran-2-yl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025856

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The IUPAC name of 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] (CID 53005060) is 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine].
What is the SMILES notation for 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The canonical SMILES for 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
The InChIKey is CKCRXZVNUPKLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2S/c26-20-8-10-23-22(17-20)27-25(24-6-3-13-29(23)24)11-14-28(15-12-25)32(30,31)21-9-7-18-4-1-2-5-19(18)16-21/h3,6-10,13,16-17,27H,1-2,4-5,11-12,14-15H2.
What are the key properties of 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]?
7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] has a molecular weight of 451.57 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine] is sourced from PubChem (CID 53005060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).