(1-cyclobutyloxyisoquinolin-3-yl)methanol

C14H15NO2 — CID 62141040

IUPAC(1-cyclobutyloxyisoquinolin-3-yl)methanol
SMILESOCc1cc2ccccc2c(OC2CCC2)n1
InChIInChI=1S/C14H15NO2/c16-9-11-8-10-4-1-2-7-13(10)14(15-11)17-12-5-3-6-12/h1-2,4,7-8,12,16H,3,5-6,9H2
InChIKeyWRZCMIZDXGURAM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.66
Rot. Bonds3

About (1-cyclobutyloxyisoquinolin-3-yl)methanol

(1-cyclobutyloxyisoquinolin-3-yl)methanol (PubChem CID 62141040) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (1-cyclobutyloxyisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(1-cyclobutyloxyisoquinolin-3-yl)methanol
PubChem CID62141040
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(1-cyclobutyloxyisoquinolin-3-yl)methanol
SMILESOCc1cc2ccccc2c(OC2CCC2)n1
InChIInChI=1S/C14H15NO2/c16-9-11-8-10-4-1-2-7-13(10)14(15-11)17-12-5-3-6-12/h1-2,4,7-8,12,16H,3,5-6,9H2
InChIKeyWRZCMIZDXGURAM-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyloxyisoquinolin-3-yl)methanol?
The IUPAC name of (1-cyclobutyloxyisoquinolin-3-yl)methanol (CID 62141040) is (1-cyclobutyloxyisoquinolin-3-yl)methanol.
What is the SMILES notation for (1-cyclobutyloxyisoquinolin-3-yl)methanol?
The canonical SMILES for (1-cyclobutyloxyisoquinolin-3-yl)methanol is OCc1cc2ccccc2c(OC2CCC2)n1.
What is the InChIKey of (1-cyclobutyloxyisoquinolin-3-yl)methanol?
The InChIKey is WRZCMIZDXGURAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-9-11-8-10-4-1-2-7-13(10)14(15-11)17-12-5-3-6-12/h1-2,4,7-8,12,16H,3,5-6,9H2.
What are the key properties of (1-cyclobutyloxyisoquinolin-3-yl)methanol?
(1-cyclobutyloxyisoquinolin-3-yl)methanol has a molecular weight of 229.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyloxyisoquinolin-3-yl)methanol is sourced from PubChem (CID 62141040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).