5-fluoro-2-quinolin-7-ylaniline

C15H11FN2 — CID 107626733

IUPAC5-fluoro-2-quinolin-7-ylaniline
SMILESNc1cc(F)ccc1-c1ccc2cccnc2c1
InChIInChI=1S/C15H11FN2/c16-12-5-6-13(14(17)9-12)11-4-3-10-2-1-7-18-15(10)8-11/h1-9H,17H2
InChIKeyQCYLNXSKJNGTES-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.62
Rot. Bonds1

About 5-fluoro-2-quinolin-7-ylaniline

5-fluoro-2-quinolin-7-ylaniline (PubChem CID 107626733) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-fluoro-2-quinolin-7-ylaniline.

Molecular Properties

Compound Name5-fluoro-2-quinolin-7-ylaniline
PubChem CID107626733
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name5-fluoro-2-quinolin-7-ylaniline
SMILESNc1cc(F)ccc1-c1ccc2cccnc2c1
InChIInChI=1S/C15H11FN2/c16-12-5-6-13(14(17)9-12)11-4-3-10-2-1-7-18-15(10)8-11/h1-9H,17H2
InChIKeyQCYLNXSKJNGTES-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-quinolin-7-ylaniline?
The IUPAC name of 5-fluoro-2-quinolin-7-ylaniline (CID 107626733) is 5-fluoro-2-quinolin-7-ylaniline.
What is the SMILES notation for 5-fluoro-2-quinolin-7-ylaniline?
The canonical SMILES for 5-fluoro-2-quinolin-7-ylaniline is Nc1cc(F)ccc1-c1ccc2cccnc2c1.
What is the InChIKey of 5-fluoro-2-quinolin-7-ylaniline?
The InChIKey is QCYLNXSKJNGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2/c16-12-5-6-13(14(17)9-12)11-4-3-10-2-1-7-18-15(10)8-11/h1-9H,17H2.
What are the key properties of 5-fluoro-2-quinolin-7-ylaniline?
5-fluoro-2-quinolin-7-ylaniline has a molecular weight of 238.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-quinolin-7-ylaniline is sourced from PubChem (CID 107626733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).