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

C17H17NO — CID 13373172

IUPAC6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
SMILESOc1ccc2c(c1)CCN1Cc3ccccc3CC21
InChIInChI=1S/C17H17NO/c19-15-5-6-16-13(9-15)7-8-18-11-14-4-2-1-3-12(14)10-17(16)18/h1-6,9,17,19H,7-8,10-11H2
InChIKeyQXUOSGAFYZBCAK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.05
Rot. Bonds

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

6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol (PubChem CID 13373172) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol.

Molecular Properties

Compound Name6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
PubChem CID13373172
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
SMILESOc1ccc2c(c1)CCN1Cc3ccccc3CC21
InChIInChI=1S/C17H17NO/c19-15-5-6-16-13(9-15)7-8-18-11-14-4-2-1-3-12(14)10-17(16)18/h1-6,9,17,19H,7-8,10-11H2
InChIKeyQXUOSGAFYZBCAK-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol?
The IUPAC name of 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol (CID 13373172) is 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol.
What is the SMILES notation for 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol?
The canonical SMILES for 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol is Oc1ccc2c(c1)CCN1Cc3ccccc3CC21.
What is the InChIKey of 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol?
The InChIKey is QXUOSGAFYZBCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-15-5-6-16-13(9-15)7-8-18-11-14-4-2-1-3-12(14)10-17(16)18/h1-6,9,17,19H,7-8,10-11H2.
What are the key properties of 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol?
6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol has a molecular weight of 251.33 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol is sourced from PubChem (CID 13373172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).