1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol

C15H11FN2O2 — CID 106540079

IUPAC1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol
SMILESNc1ccc(F)cc1Oc1nccc2ccc(O)cc12
InChIInChI=1S/C15H11FN2O2/c16-10-2-4-13(17)14(7-10)20-15-12-8-11(19)3-1-9(12)5-6-18-15/h1-8,19H,17H2
InChIKeyBXPKXYYQKKZFLG-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.45
Rot. Bonds2

About 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol

1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol (PubChem CID 106540079) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol
PubChem CID106540079
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol
SMILESNc1ccc(F)cc1Oc1nccc2ccc(O)cc12
InChIInChI=1S/C15H11FN2O2/c16-10-2-4-13(17)14(7-10)20-15-12-8-11(19)3-1-9(12)5-6-18-15/h1-8,19H,17H2
InChIKeyBXPKXYYQKKZFLG-UHFFFAOYSA-N
XLogP3.45
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-fluorophenoxy)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

Related Compounds

1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol
CID 106540101
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
CID 106540139
4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
CID 43525450
2-[(6-ethoxy-2-pyridinyl)oxy]-4-fluoroaniline
CID 63591670
1-[1-(methylamino)propan-2-yloxy]isoquinolin-7-ol
CID 106541994
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
6-amino-5-methoxynaphthalen-2-ol
CID 115017706
7-amino-8-propan-2-ylnaphthalen-2-ol
CID 115057677
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
8-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-ol
CID 54182446

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol?
The IUPAC name of 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol (CID 106540079) is 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol.
What is the SMILES notation for 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol?
The canonical SMILES for 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol is Nc1ccc(F)cc1Oc1nccc2ccc(O)cc12.
What is the InChIKey of 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol?
The InChIKey is BXPKXYYQKKZFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-10-2-4-13(17)14(7-10)20-15-12-8-11(19)3-1-9(12)5-6-18-15/h1-8,19H,17H2.
What are the key properties of 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol?
1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol has a molecular weight of 270.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol is sourced from PubChem (CID 106540079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).