8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt

C26H36Br2CoN2O2-2 — CID 5255322

IUPAC8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt
SMILESBr[Co]Br.C1=Cc2cccc(OCC3CCCCC3COC3CCCC4CCC[N-]C43)c2[N-]C1
InChIInChI=1S/C26H36N2O2.2BrH.Co/c1-2-8-22(18-30-24-14-4-10-20-12-6-16-28-26(20)24)21(7-1)17-29-23-13-3-9-19-11-5-15-27-25(19)23;;;/h3,5,9,11,13,20-22,24,26H,1-2,4,6-8,10,12,14-18H2;2*1H;/q-2;;;+2/p-2
InChIKeyRMBWDMZUBXSOEW-UHFFFAOYSA-L
MW627.33 g/mol
LogP8.31
Rot. Bonds6

About 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt

8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt (PubChem CID 5255322) has the molecular formula C26H36Br2CoN2O2-2 and a molecular weight of 627.33 g/mol. Its IUPAC name is 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt.

Molecular Properties

Compound Name8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt
PubChem CID5255322
Molecular FormulaC26H36Br2CoN2O2-2
Molecular Weight627.33 g/mol
Exact Mass625.05
IUPAC Name8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt
SMILESBr[Co]Br.C1=Cc2cccc(OCC3CCCCC3COC3CCCC4CCC[N-]C43)c2[N-]C1
InChIInChI=1S/C26H36N2O2.2BrH.Co/c1-2-8-22(18-30-24-14-4-10-20-12-6-16-28-26(20)24)21(7-1)17-29-23-13-3-9-19-11-5-15-27-25(19)23;;;/h3,5,9,11,13,20-22,24,26H,1-2,4,6-8,10,12,14-18H2;2*1H;/q-2;;;+2/p-2
InChIKeyRMBWDMZUBXSOEW-UHFFFAOYSA-L
XLogP8.31
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.33
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt?
The IUPAC name of 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt (CID 5255322) is 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt.
What is the SMILES notation for 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt?
The canonical SMILES for 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt is Br[Co]Br.C1=Cc2cccc(OCC3CCCCC3COC3CCCC4CCC[N-]C43)c2[N-]C1.
What is the InChIKey of 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt?
The InChIKey is RMBWDMZUBXSOEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H36N2O2.2BrH.Co/c1-2-8-22(18-30-24-14-4-10-20-12-6-16-28-26(20)24)21(7-1)17-29-23-13-3-9-19-11-5-15-27-25(19)23;;;/h3,5,9,11,13,20-22,24,26H,1-2,4,6-8,10,12,14-18H2;2*1H;/q-2;;;+2/p-2.
What are the key properties of 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt?
8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt has a molecular weight of 627.33 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-yloxymethyl)cyclohexyl]methoxy]-2H-quinolin-1-ide;dibromocobalt is sourced from PubChem (CID 5255322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).