6-(2-fluoro-3-methylphenoxy)quinolin-5-amine

C16H13FN2O — CID 107655430

IUPAC6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
SMILESCc1cccc(Oc2ccc3ncccc3c2N)c1F
InChIInChI=1S/C16H13FN2O/c1-10-4-2-6-13(15(10)17)20-14-8-7-12-11(16(14)18)5-3-9-19-12/h2-9H,18H2,1H3
InChIKeyOFXJWQLMGIFNGJ-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.06
Rot. Bonds2

About 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine

6-(2-fluoro-3-methylphenoxy)quinolin-5-amine (PubChem CID 107655430) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
PubChem CID107655430
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
SMILESCc1cccc(Oc2ccc3ncccc3c2N)c1F
InChIInChI=1S/C16H13FN2O/c1-10-4-2-6-13(15(10)17)20-14-8-7-12-11(16(14)18)5-3-9-19-12/h2-9H,18H2,1H3
InChIKeyOFXJWQLMGIFNGJ-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

Ethacridine
CID 2017
6-Methoxyquinoline
CID 14860
9-Amino-2-methoxyacridine
CID 18867
8-Acetoxyquinoline
CID 75777
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
6-Methoxy-4-methylquinoline
CID 258761
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
5-(4-Methoxyphenylazo)-8-hydroxyquinoline
CID 3794954

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine?
The IUPAC name of 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine (CID 107655430) is 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine.
What is the SMILES notation for 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine?
The canonical SMILES for 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine is Cc1cccc(Oc2ccc3ncccc3c2N)c1F.
What is the InChIKey of 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine?
The InChIKey is OFXJWQLMGIFNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-4-2-6-13(15(10)17)20-14-8-7-12-11(16(14)18)5-3-9-19-12/h2-9H,18H2,1H3.
What are the key properties of 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine?
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine 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 6-(2-fluoro-3-methylphenoxy)quinolin-5-amine is sourced from PubChem (CID 107655430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).