1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol

C15H11FN2O2 — CID 106540101

IUPAC1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol
SMILESNc1ccc(Oc2nccc3ccc(O)cc23)c(F)c1
InChIInChI=1S/C15H11FN2O2/c16-13-7-10(17)2-4-14(13)20-15-12-8-11(19)3-1-9(12)5-6-18-15/h1-8,19H,17H2
InChIKeyJZADMHKEAPSXHS-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.45
Rot. Bonds2

About 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol

1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol (PubChem CID 106540101) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol
PubChem CID106540101
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol
SMILESNc1ccc(Oc2nccc3ccc(O)cc23)c(F)c1
InChIInChI=1S/C15H11FN2O2/c16-13-7-10(17)2-4-14(13)20-15-12-8-11(19)3-1-9(12)5-6-18-15/h1-8,19H,17H2
InChIKeyJZADMHKEAPSXHS-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'}

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Related Compounds

1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
CID 106540139
1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol
CID 106540079
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
CID 89043701
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
CID 76850851
5-(4-amino-2-fluorophenoxy)pyridin-3-ol
CID 143108339
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
3-fluoro-4-phthalazin-1-yloxyaniline
CID 43517076

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol?
The IUPAC name of 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol (CID 106540101) is 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol.
What is the SMILES notation for 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol?
The canonical SMILES for 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol is Nc1ccc(Oc2nccc3ccc(O)cc23)c(F)c1.
What is the InChIKey of 1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol?
The InChIKey is JZADMHKEAPSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-13-7-10(17)2-4-14(13)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-(4-amino-2-fluorophenoxy)isoquinolin-7-ol?
1-(4-amino-2-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-(4-amino-2-fluorophenoxy)isoquinolin-7-ol is sourced from PubChem (CID 106540101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).