5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine

C16H12F2N2O — CID 114929956

IUPAC5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
SMILESNc1ccc(OCc2c(F)cccc2F)c2cccnc12
InChIInChI=1S/C16H12F2N2O/c17-12-4-1-5-13(18)11(12)9-21-15-7-6-14(19)16-10(15)3-2-8-20-16/h1-8H,9,19H2
InChIKeyFEUVLAGANQMLHV-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.67
Rot. Bonds3

About 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine

5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine (PubChem CID 114929956) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
PubChem CID114929956
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
SMILESNc1ccc(OCc2c(F)cccc2F)c2cccnc12
InChIInChI=1S/C16H12F2N2O/c17-12-4-1-5-13(18)11(12)9-21-15-7-6-14(19)16-10(15)3-2-8-20-16/h1-8H,9,19H2
InChIKeyFEUVLAGANQMLHV-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.67
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-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine
CID 116524713
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525609
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine?
The IUPAC name of 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine (CID 114929956) is 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine?
The canonical SMILES for 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine is Nc1ccc(OCc2c(F)cccc2F)c2cccnc12.
What is the InChIKey of 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine?
The InChIKey is FEUVLAGANQMLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-4-1-5-13(18)11(12)9-21-15-7-6-14(19)16-10(15)3-2-8-20-16/h1-8H,9,19H2.
What are the key properties of 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine?
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine has a molecular weight of 286.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine is sourced from PubChem (CID 114929956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).