1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol

C16H13FN2O — CID 106537348

IUPAC1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCc3ccccc3F)c2c1
InChIInChI=1S/C16H13FN2O/c17-15-4-2-1-3-12(15)10-19-16-14-9-13(20)6-5-11(14)7-8-18-16/h1-9,20H,10H2,(H,18,19)
InChIKeySKYFOSSKQZCJCX-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.69
Rot. Bonds3

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

1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol (PubChem CID 106537348) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol
PubChem CID106537348
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCc3ccccc3F)c2c1
InChIInChI=1S/C16H13FN2O/c17-15-4-2-1-3-12(15)10-19-16-14-9-13(20)6-5-11(14)7-8-18-16/h1-9,20H,10H2,(H,18,19)
InChIKeySKYFOSSKQZCJCX-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol (CID 106537348) is 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCc3ccccc3F)c2c1.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol?
The InChIKey is SKYFOSSKQZCJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-15-4-2-1-3-12(15)10-19-16-14-9-13(20)6-5-11(14)7-8-18-16/h1-9,20H,10H2,(H,18,19).
What are the key properties of 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol?
1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol has a molecular weight of 268.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).