2-(3-chloro-4-fluorophenoxy)quinolin-6-amine

C15H10ClFN2O — CID 63879320

IUPAC2-(3-chloro-4-fluorophenoxy)quinolin-6-amine
SMILESNc1ccc2nc(Oc3ccc(F)c(Cl)c3)ccc2c1
InChIInChI=1S/C15H10ClFN2O/c16-12-8-11(3-4-13(12)17)20-15-6-1-9-7-10(18)2-5-14(9)19-15/h1-8H,18H2
InChIKeyPCEVGLCMXPWMST-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.40
Rot. Bonds2

About 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine

2-(3-chloro-4-fluorophenoxy)quinolin-6-amine (PubChem CID 63879320) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)quinolin-6-amine
PubChem CID63879320
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-(3-chloro-4-fluorophenoxy)quinolin-6-amine
SMILESNc1ccc2nc(Oc3ccc(F)c(Cl)c3)ccc2c1
InChIInChI=1S/C15H10ClFN2O/c16-12-8-11(3-4-13(12)17)20-15-6-1-9-7-10(18)2-5-14(9)19-15/h1-8H,18H2
InChIKeyPCEVGLCMXPWMST-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.40
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-(4-chloro-3-ethylphenoxy)quinolin-6-amine
CID 43451123
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
2-(4-ethoxyphenoxy)quinolin-6-amine
CID 43451038
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
2-[(2-fluorophenyl)methoxy]quinolin-6-amine
CID 63933634

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine (CID 63879320) is 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine is Nc1ccc2nc(Oc3ccc(F)c(Cl)c3)ccc2c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine?
The InChIKey is PCEVGLCMXPWMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-8-11(3-4-13(12)17)20-15-6-1-9-7-10(18)2-5-14(9)19-15/h1-8H,18H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine?
2-(3-chloro-4-fluorophenoxy)quinolin-6-amine has a molecular weight of 288.71 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)quinolin-6-amine is sourced from PubChem (CID 63879320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).