1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol

C17H15FN2O — CID 106537617

IUPAC1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCc3cccc(F)c3)c2c1
InChIInChI=1S/C17H15FN2O/c18-14-3-1-2-12(10-14)6-8-19-17-16-11-15(21)5-4-13(16)7-9-20-17/h1-5,7,9-11,21H,6,8H2,(H,19,20)
InChIKeyZGAWZHKDOSIHBL-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol

1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol (PubChem CID 106537617) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol
PubChem CID106537617
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCc3cccc(F)c3)c2c1
InChIInChI=1S/C17H15FN2O/c18-14-3-1-2-12(10-14)6-8-19-17-16-11-15(21)5-4-13(16)7-9-20-17/h1-5,7,9-11,21H,6,8H2,(H,19,20)
InChIKeyZGAWZHKDOSIHBL-UHFFFAOYSA-N
XLogP3.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol (CID 106537617) is 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCCc3cccc(F)c3)c2c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol?
The InChIKey is ZGAWZHKDOSIHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-14-3-1-2-12(10-14)6-8-19-17-16-11-15(21)5-4-13(16)7-9-20-17/h1-5,7,9-11,21H,6,8H2,(H,19,20).
What are the key properties of 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol?
1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol has a molecular weight of 282.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).