8-(2-fluoro-5-methylphenoxy)quinolin-5-amine

C16H13FN2O — CID 64855173

IUPAC8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
SMILESCc1ccc(F)c(Oc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C16H13FN2O/c1-10-4-5-12(17)15(9-10)20-14-7-6-13(18)11-3-2-8-19-16(11)14/h2-9H,18H2,1H3
InChIKeyMEAJNGOLLJBGMS-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.06
Rot. Bonds2

About 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine

8-(2-fluoro-5-methylphenoxy)quinolin-5-amine (PubChem CID 64855173) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
PubChem CID64855173
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
SMILESCc1ccc(F)c(Oc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C16H13FN2O/c1-10-4-5-12(17)15(9-10)20-14-7-6-13(18)11-3-2-8-19-16(11)14/h2-9H,18H2,1H3
InChIKeyMEAJNGOLLJBGMS-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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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine?
The IUPAC name of 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine (CID 64855173) is 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine.
What is the SMILES notation for 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine?
The canonical SMILES for 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine is Cc1ccc(F)c(Oc2ccc(N)c3cccnc23)c1.
What is the InChIKey of 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine?
The InChIKey is MEAJNGOLLJBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-4-5-12(17)15(9-10)20-14-7-6-13(18)11-3-2-8-19-16(11)14/h2-9H,18H2,1H3.
What are the key properties of 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine?
8-(2-fluoro-5-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 8-(2-fluoro-5-methylphenoxy)quinolin-5-amine is sourced from PubChem (CID 64855173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).