1-morpholin-4-ylisoquinolin-8-ol

C13H14N2O2 — CID 136699716

IUPAC1-morpholin-4-ylisoquinolin-8-ol
SMILESOc1cccc2ccnc(N3CCOCC3)c12
InChIInChI=1S/C13H14N2O2/c16-11-3-1-2-10-4-5-14-13(12(10)11)15-6-8-17-9-7-15/h1-5,16H,6-9H2
InChIKeyHCKOBRFYBSSDEH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds1

About 1-morpholin-4-ylisoquinolin-8-ol

1-morpholin-4-ylisoquinolin-8-ol (PubChem CID 136699716) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-morpholin-4-ylisoquinolin-8-ol.

Molecular Properties

Compound Name1-morpholin-4-ylisoquinolin-8-ol
PubChem CID136699716
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-morpholin-4-ylisoquinolin-8-ol
SMILESOc1cccc2ccnc(N3CCOCC3)c12
InChIInChI=1S/C13H14N2O2/c16-11-3-1-2-10-4-5-14-13(12(10)11)15-6-8-17-9-7-15/h1-5,16H,6-9H2
InChIKeyHCKOBRFYBSSDEH-UHFFFAOYSA-N
XLogP1.78
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylisoquinolin-8-ol?
The IUPAC name of 1-morpholin-4-ylisoquinolin-8-ol (CID 136699716) is 1-morpholin-4-ylisoquinolin-8-ol.
What is the SMILES notation for 1-morpholin-4-ylisoquinolin-8-ol?
The canonical SMILES for 1-morpholin-4-ylisoquinolin-8-ol is Oc1cccc2ccnc(N3CCOCC3)c12.
What is the InChIKey of 1-morpholin-4-ylisoquinolin-8-ol?
The InChIKey is HCKOBRFYBSSDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-3-1-2-10-4-5-14-13(12(10)11)15-6-8-17-9-7-15/h1-5,16H,6-9H2.
What are the key properties of 1-morpholin-4-ylisoquinolin-8-ol?
1-morpholin-4-ylisoquinolin-8-ol has a molecular weight of 230.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylisoquinolin-8-ol is sourced from PubChem (CID 136699716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).