4-(2-fluorophenyl)-8-methoxyquinolin-5-amine

C16H13FN2O — CID 10754354

IUPAC4-(2-fluorophenyl)-8-methoxyquinolin-5-amine
SMILESCOc1ccc(N)c2c(-c3ccccc3F)ccnc12
InChIInChI=1S/C16H13FN2O/c1-20-14-7-6-13(18)15-11(8-9-19-16(14)15)10-4-2-3-5-12(10)17/h2-9H,18H2,1H3
InChIKeyXVFJLCQSWPYXMB-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.63
Rot. Bonds2

About 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine

4-(2-fluorophenyl)-8-methoxyquinolin-5-amine (PubChem CID 10754354) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-8-methoxyquinolin-5-amine
PubChem CID10754354
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-(2-fluorophenyl)-8-methoxyquinolin-5-amine
SMILESCOc1ccc(N)c2c(-c3ccccc3F)ccnc12
InChIInChI=1S/C16H13FN2O/c1-20-14-7-6-13(18)15-11(8-9-19-16(14)15)10-4-2-3-5-12(10)17/h2-9H,18H2,1H3
InChIKeyXVFJLCQSWPYXMB-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine?
The IUPAC name of 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine (CID 10754354) is 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine?
The canonical SMILES for 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine is COc1ccc(N)c2c(-c3ccccc3F)ccnc12.
What is the InChIKey of 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine?
The InChIKey is XVFJLCQSWPYXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-20-14-7-6-13(18)15-11(8-9-19-16(14)15)10-4-2-3-5-12(10)17/h2-9H,18H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine?
4-(2-fluorophenyl)-8-methoxyquinolin-5-amine has a molecular weight of 268.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-8-methoxyquinolin-5-amine is sourced from PubChem (CID 10754354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).