6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol

C17H17NO — CID 11543350

IUPAC6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol
SMILESOc1ccc2c(c1)CCN1CCc3ccccc3C21
InChIInChI=1S/C17H17NO/c19-14-5-6-16-13(11-14)8-10-18-9-7-12-3-1-2-4-15(12)17(16)18/h1-6,11,17,19H,7-10H2
InChIKeyWKDIBUGWHRYVFS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.90
Rot. Bonds

About 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol

6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol (PubChem CID 11543350) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol.

Molecular Properties

Compound Name6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol
PubChem CID11543350
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol
SMILESOc1ccc2c(c1)CCN1CCc3ccccc3C21
InChIInChI=1S/C17H17NO/c19-14-5-6-16-13(11-14)8-10-18-9-7-12-3-1-2-4-15(12)17(16)18/h1-6,11,17,19H,7-10H2
InChIKeyWKDIBUGWHRYVFS-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol?
The IUPAC name of 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol (CID 11543350) is 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol.
What is the SMILES notation for 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol?
The canonical SMILES for 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol is Oc1ccc2c(c1)CCN1CCc3ccccc3C21.
What is the InChIKey of 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol?
The InChIKey is WKDIBUGWHRYVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-14-5-6-16-13(11-14)8-10-18-9-7-12-3-1-2-4-15(12)17(16)18/h1-6,11,17,19H,7-10H2.
What are the key properties of 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol?
6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-3-ol is sourced from PubChem (CID 11543350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).