3-cyclohexyl-2-hydroxyisoquinolin-1-one

C15H17NO2 — CID 139553792

IUPAC3-cyclohexyl-2-hydroxyisoquinolin-1-one
SMILESO=c1c2ccccc2cc(C2CCCCC2)n1O
InChIInChI=1S/C15H17NO2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h4-5,8-11,18H,1-3,6-7H2
InChIKeyXGLJROYWAVOKFK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.29
Rot. Bonds1

About 3-cyclohexyl-2-hydroxyisoquinolin-1-one

3-cyclohexyl-2-hydroxyisoquinolin-1-one (PubChem CID 139553792) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-cyclohexyl-2-hydroxyisoquinolin-1-one.

Molecular Properties

Compound Name3-cyclohexyl-2-hydroxyisoquinolin-1-one
PubChem CID139553792
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-cyclohexyl-2-hydroxyisoquinolin-1-one
SMILESO=c1c2ccccc2cc(C2CCCCC2)n1O
InChIInChI=1S/C15H17NO2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h4-5,8-11,18H,1-3,6-7H2
InChIKeyXGLJROYWAVOKFK-UHFFFAOYSA-N
XLogP3.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-hydroxyisoquinolin-1-one?
The IUPAC name of 3-cyclohexyl-2-hydroxyisoquinolin-1-one (CID 139553792) is 3-cyclohexyl-2-hydroxyisoquinolin-1-one.
What is the SMILES notation for 3-cyclohexyl-2-hydroxyisoquinolin-1-one?
The canonical SMILES for 3-cyclohexyl-2-hydroxyisoquinolin-1-one is O=c1c2ccccc2cc(C2CCCCC2)n1O.
What is the InChIKey of 3-cyclohexyl-2-hydroxyisoquinolin-1-one?
The InChIKey is XGLJROYWAVOKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h4-5,8-11,18H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-2-hydroxyisoquinolin-1-one?
3-cyclohexyl-2-hydroxyisoquinolin-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-hydroxyisoquinolin-1-one is sourced from PubChem (CID 139553792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).