8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C24H26N2O6S — CID 2144809

IUPAC8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC4(CC3)OCCO4)c2cc1OC
InChIInChI=1S/C24H26N2O6S/c1-29-20-14-18-19(15-21(20)30-2)25-16-22(33(27,28)17-6-4-3-5-7-17)23(18)26-10-8-24(9-11-26)31-12-13-32-24/h3-7,14-16H,8-13H2,1-2H3
InChIKeyLGXUIFOFQGWLOV-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.43
Rot. Bonds5

About 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 2144809) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID2144809
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC4(CC3)OCCO4)c2cc1OC
InChIInChI=1S/C24H26N2O6S/c1-29-20-14-18-19(15-21(20)30-2)25-16-22(33(27,28)17-6-4-3-5-7-17)23(18)26-10-8-24(9-11-26)31-12-13-32-24/h3-7,14-16H,8-13H2,1-2H3
InChIKeyLGXUIFOFQGWLOV-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

Analyze 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 2144809) is 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC4(CC3)OCCO4)c2cc1OC.
What is the InChIKey of 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LGXUIFOFQGWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-29-20-14-18-19(15-21(20)30-2)25-16-22(33(27,28)17-6-4-3-5-7-17)23(18)26-10-8-24(9-11-26)31-12-13-32-24/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of 8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-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-[3-(benzenesulfonyl)-6,7-dimethoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 2144809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).