4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline

C16H13FN2O — CID 43525450

IUPAC4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
SMILESCc1cc(Oc2cc(F)ccc2N)c2ccccc2n1
InChIInChI=1S/C16H13FN2O/c1-10-8-15(12-4-2-3-5-14(12)19-10)20-16-9-11(17)6-7-13(16)18/h2-9H,18H2,1H3
InChIKeyVPKCUZZVSCLAFK-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.06
Rot. Bonds2

About 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline

4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline (PubChem CID 43525450) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
PubChem CID43525450
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline
SMILESCc1cc(Oc2cc(F)ccc2N)c2ccccc2n1
InChIInChI=1S/C16H13FN2O/c1-10-8-15(12-4-2-3-5-14(12)19-10)20-16-9-11(17)6-7-13(16)18/h2-9H,18H2,1H3
InChIKeyVPKCUZZVSCLAFK-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

2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
2-methylquinolin-4-amine
CID 162035180
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
3-(2-methylquinolin-4-yl)oxyphenol
CID 60871458
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
2-[(6-ethoxy-2-pyridinyl)oxy]-4-fluoroaniline
CID 63591670
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
CID 65168674
2-fluoro-3-methylquinolin-4-amine
CID 141294686

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline?
The IUPAC name of 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline (CID 43525450) is 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline.
What is the SMILES notation for 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline?
The canonical SMILES for 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline is Cc1cc(Oc2cc(F)ccc2N)c2ccccc2n1.
What is the InChIKey of 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline?
The InChIKey is VPKCUZZVSCLAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-8-15(12-4-2-3-5-14(12)19-10)20-16-9-11(17)6-7-13(16)18/h2-9H,18H2,1H3.
What are the key properties of 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline?
4-fluoro-2-(2-methylquinolin-4-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 4-fluoro-2-(2-methylquinolin-4-yl)oxyaniline is sourced from PubChem (CID 43525450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).