2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline

C16H13FN2O — CID 60789943

IUPAC2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
SMILESCc1ccc2cccc(Oc3cccc(F)c3N)c2n1
InChIInChI=1S/C16H13FN2O/c1-10-8-9-11-4-2-7-14(16(11)19-10)20-13-6-3-5-12(17)15(13)18/h2-9H,18H2,1H3
InChIKeyGSXKISHZIZPZIU-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.06
Rot. Bonds2

About 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline

2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline (PubChem CID 60789943) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline.

Molecular Properties

Compound Name2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
PubChem CID60789943
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
SMILESCc1ccc2cccc(Oc3cccc(F)c3N)c2n1
InChIInChI=1S/C16H13FN2O/c1-10-8-9-11-4-2-7-14(16(11)19-10)20-13-6-3-5-12(17)15(13)18/h2-9H,18H2,1H3
InChIKeyGSXKISHZIZPZIU-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.06
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

5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
CID 66081361
4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
CID 65342646
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
CID 20665518
CID 20665518
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 62493343
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
(2-methylquinolin-8-yl) 2-fluorobenzenesulfonate
CID 31391529
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline?
The IUPAC name of 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline (CID 60789943) is 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline.
What is the SMILES notation for 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline?
The canonical SMILES for 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline is Cc1ccc2cccc(Oc3cccc(F)c3N)c2n1.
What is the InChIKey of 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline?
The InChIKey is GSXKISHZIZPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-8-9-11-4-2-7-14(16(11)19-10)20-13-6-3-5-12(17)15(13)18/h2-9H,18H2,1H3.
What are the key properties of 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline?
2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline has a molecular weight of 268.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline is sourced from PubChem (CID 60789943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).