7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C16H18N2O2 — CID 171956130

IUPAC7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2ccc3cnccc3c2)CC2COCC(C1)N2
InChIInChI=1S/C16H18N2O2/c19-16(6-14-9-20-10-15(7-16)18-14)13-2-1-12-8-17-4-3-11(12)5-13/h1-5,8,14-15,18-19H,6-7,9-10H2
InChIKeyYDEWBRMNAACASN-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.57
Rot. Bonds1

About 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171956130) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171956130
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2ccc3cnccc3c2)CC2COCC(C1)N2
InChIInChI=1S/C16H18N2O2/c19-16(6-14-9-20-10-15(7-16)18-14)13-2-1-12-8-17-4-3-11(12)5-13/h1-5,8,14-15,18-19H,6-7,9-10H2
InChIKeyYDEWBRMNAACASN-UHFFFAOYSA-N
XLogP1.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171956130) is 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(c2ccc3cnccc3c2)CC2COCC(C1)N2.
What is the InChIKey of 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is YDEWBRMNAACASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(6-14-9-20-10-15(7-16)18-14)13-2-1-12-8-17-4-3-11(12)5-13/h1-5,8,14-15,18-19H,6-7,9-10H2.
What are the key properties of 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 270.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-6-yl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171956130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).