4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline

C16H13FN2O2 — CID 106540081

IUPAC4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
SMILESCOc1ccc2c(Oc3cc(F)ccc3N)nccc2c1
InChIInChI=1S/C16H13FN2O2/c1-20-12-3-4-13-10(8-12)6-7-19-16(13)21-15-9-11(17)2-5-14(15)18/h2-9H,18H2,1H3
InChIKeyJEMOWRGAJAIYTJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.76
Rot. Bonds3

About 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline

4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline (PubChem CID 106540081) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline.

Molecular Properties

Compound Name4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
PubChem CID106540081
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
SMILESCOc1ccc2c(Oc3cc(F)ccc3N)nccc2c1
InChIInChI=1S/C16H13FN2O2/c1-20-12-3-4-13-10(8-12)6-7-19-16(13)21-15-9-11(17)2-5-14(15)18/h2-9H,18H2,1H3
InChIKeyJEMOWRGAJAIYTJ-UHFFFAOYSA-N
XLogP3.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
1-(2-amino-5-fluorophenoxy)isoquinolin-7-ol
CID 106540079
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline?
The IUPAC name of 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline (CID 106540081) is 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline.
What is the SMILES notation for 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline?
The canonical SMILES for 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline is COc1ccc2c(Oc3cc(F)ccc3N)nccc2c1.
What is the InChIKey of 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline?
The InChIKey is JEMOWRGAJAIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-20-12-3-4-13-10(8-12)6-7-19-16(13)21-15-9-11(17)2-5-14(15)18/h2-9H,18H2,1H3.
What are the key properties of 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline?
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline has a molecular weight of 284.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline is sourced from PubChem (CID 106540081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).