3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol

C17H19NOS — CID 171956078

IUPAC3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccc3cccnc3c2)CC2CCCC(C1)S2
InChIInChI=1S/C17H19NOS/c19-17(10-14-4-1-5-15(11-17)20-14)13-7-6-12-3-2-8-18-16(12)9-13/h2-3,6-9,14-15,19H,1,4-5,10-11H2
InChIKeyAIZJGQSUWJNDFW-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.87
Rot. Bonds1

About 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol

3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol (PubChem CID 171956078) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol
PubChem CID171956078
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccc3cccnc3c2)CC2CCCC(C1)S2
InChIInChI=1S/C17H19NOS/c19-17(10-14-4-1-5-15(11-17)20-14)13-7-6-12-3-2-8-18-16(12)9-13/h2-3,6-9,14-15,19H,1,4-5,10-11H2
InChIKeyAIZJGQSUWJNDFW-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol (CID 171956078) is 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol is OC1(c2ccc3cccnc3c2)CC2CCCC(C1)S2.
What is the InChIKey of 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol?
The InChIKey is AIZJGQSUWJNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(10-14-4-1-5-15(11-17)20-14)13-7-6-12-3-2-8-18-16(12)9-13/h2-3,6-9,14-15,19H,1,4-5,10-11H2.
What are the key properties of 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol?
3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol has a molecular weight of 285.41 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-7-yl-9-thiabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171956078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).