8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C24H26N2O6S — CID 12006038

IUPAC8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C24H26N2O6S/c1-29-17-3-6-19(7-4-17)33(27,28)22-16-25-21-8-5-18(30-2)15-20(21)23(22)26-11-9-24(10-12-26)31-13-14-32-24/h3-8,15-16H,9-14H2,1-2H3
InChIKeySVSDOXXJTMWZIZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.43
Rot. Bonds5

About 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 12006038) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID12006038
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C24H26N2O6S/c1-29-17-3-6-19(7-4-17)33(27,28)22-16-25-21-8-5-18(30-2)15-20(21)23(22)26-11-9-24(10-12-26)31-13-14-32-24/h3-8,15-16H,9-14H2,1-2H3
InChIKeySVSDOXXJTMWZIZ-UHFFFAOYSA-N
XLogP3.43
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 12006038) is 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SVSDOXXJTMWZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-29-17-3-6-19(7-4-17)33(27,28)22-16-25-21-8-5-18(30-2)15-20(21)23(22)26-11-9-24(10-12-26)31-13-14-32-24/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 470.55 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 12006038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).