1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

C17H20N2O — CID 103143064

IUPAC1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESOC1(c2cccc3ccncc23)CCN2CCCCC21
InChIInChI=1S/C17H20N2O/c20-17(8-11-19-10-2-1-6-16(17)19)15-5-3-4-13-7-9-18-12-14(13)15/h3-5,7,9,12,16,20H,1-2,6,8,10-11H2
InChIKeyOPEBCTHUOHWILY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds1

About 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (PubChem CID 103143064) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
PubChem CID103143064
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESOC1(c2cccc3ccncc23)CCN2CCCCC21
InChIInChI=1S/C17H20N2O/c20-17(8-11-19-10-2-1-6-16(17)19)15-5-3-4-13-7-9-18-12-14(13)15/h3-5,7,9,12,16,20H,1-2,6,8,10-11H2
InChIKeyOPEBCTHUOHWILY-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The IUPAC name of 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (CID 103143064) is 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.
What is the SMILES notation for 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The canonical SMILES for 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is OC1(c2cccc3ccncc23)CCN2CCCCC21.
What is the InChIKey of 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The InChIKey is OPEBCTHUOHWILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(8-11-19-10-2-1-6-16(17)19)15-5-3-4-13-7-9-18-12-14(13)15/h3-5,7,9,12,16,20H,1-2,6,8,10-11H2.
What are the key properties of 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol has a molecular weight of 268.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is sourced from PubChem (CID 103143064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).