3-fluoro-2-isoquinolin-1-yloxyaniline

C15H11FN2O — CID 104832181

IUPAC3-fluoro-2-isoquinolin-1-yloxyaniline
SMILESNc1cccc(F)c1Oc1nccc2ccccc12
InChIInChI=1S/C15H11FN2O/c16-12-6-3-7-13(17)14(12)19-15-11-5-2-1-4-10(11)8-9-18-15/h1-9H,17H2
InChIKeyQSLXJHZLHRZTMA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.75
Rot. Bonds2

About 3-fluoro-2-isoquinolin-1-yloxyaniline

3-fluoro-2-isoquinolin-1-yloxyaniline (PubChem CID 104832181) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-fluoro-2-isoquinolin-1-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-2-isoquinolin-1-yloxyaniline
PubChem CID104832181
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-fluoro-2-isoquinolin-1-yloxyaniline
SMILESNc1cccc(F)c1Oc1nccc2ccccc12
InChIInChI=1S/C15H11FN2O/c16-12-6-3-7-13(17)14(12)19-15-11-5-2-1-4-10(11)8-9-18-15/h1-9H,17H2
InChIKeyQSLXJHZLHRZTMA-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
US10155760, Example 204
CID 118429935
8-[(2-Fluorobenzyl)oxy]quinoline
CID 6460708
6-Fluoro-3-(4-methoxyphenyl)isoquinoline
CID 25058375
(NE)-N-(2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
CID 136503347
8-(2-Pyridinyloxy)quinoline
CID 2815881
8-[(4-Fluorobenzyl)oxy]quinoline
CID 2953616
US10155760, Example 223
CID 118419831
US10155760, Example 219
CID 118419919
US10155760, Example 218
CID 118420197
US10155760, Example 195
CID 118420447
US10155760, Example 201
CID 118429988

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-isoquinolin-1-yloxyaniline?
The IUPAC name of 3-fluoro-2-isoquinolin-1-yloxyaniline (CID 104832181) is 3-fluoro-2-isoquinolin-1-yloxyaniline.
What is the SMILES notation for 3-fluoro-2-isoquinolin-1-yloxyaniline?
The canonical SMILES for 3-fluoro-2-isoquinolin-1-yloxyaniline is Nc1cccc(F)c1Oc1nccc2ccccc12.
What is the InChIKey of 3-fluoro-2-isoquinolin-1-yloxyaniline?
The InChIKey is QSLXJHZLHRZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-6-3-7-13(17)14(12)19-15-11-5-2-1-4-10(11)8-9-18-15/h1-9H,17H2.
What are the key properties of 3-fluoro-2-isoquinolin-1-yloxyaniline?
3-fluoro-2-isoquinolin-1-yloxyaniline has a molecular weight of 254.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-isoquinolin-1-yloxyaniline is sourced from PubChem (CID 104832181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).