4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

C25H24N4O5S2 — CID 46198949

IUPAC4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C25H24N4O5S2/c30-35(31,21-9-1-5-19-7-3-13-26-23(19)21)28-15-11-25(12-16-28)29(17-18-34-25)36(32,33)22-10-2-6-20-8-4-14-27-24(20)22/h1-10,13-14H,11-12,15-18H2
InChIKeyWFLMYNVEPQECQY-UHFFFAOYSA-N
MW524.62 g/mol
LogP2.98
Rot. Bonds4

About 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 46198949) has the molecular formula C25H24N4O5S2 and a molecular weight of 524.62 g/mol. Its IUPAC name is 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID46198949
Molecular FormulaC25H24N4O5S2
Molecular Weight524.62 g/mol
Exact Mass524.12
IUPAC Name4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C25H24N4O5S2/c30-35(31,21-9-1-5-19-7-3-13-26-23(19)21)28-15-11-25(12-16-28)29(17-18-34-25)36(32,33)22-10-2-6-20-8-4-14-27-24(20)22/h1-10,13-14H,11-12,15-18H2
InChIKeyWFLMYNVEPQECQY-UHFFFAOYSA-N
XLogP2.98
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane (CID 46198949) is 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1cccc2cccnc12)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is WFLMYNVEPQECQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S2/c30-35(31,21-9-1-5-19-7-3-13-26-23(19)21)28-15-11-25(12-16-28)29(17-18-34-25)36(32,33)22-10-2-6-20-8-4-14-27-24(20)22/h1-10,13-14H,11-12,15-18H2.
What are the key properties of 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 524.62 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 46198949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).