2-fluoro-4-quinolin-8-ylaniline

C15H11FN2 — CID 81224973

IUPAC2-fluoro-4-quinolin-8-ylaniline
SMILESNc1ccc(-c2cccc3cccnc23)cc1F
InChIInChI=1S/C15H11FN2/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1-9H,17H2
InChIKeyHGIWOBSVTHHYHK-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.62
Rot. Bonds1

About 2-fluoro-4-quinolin-8-ylaniline

2-fluoro-4-quinolin-8-ylaniline (PubChem CID 81224973) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-fluoro-4-quinolin-8-ylaniline.

Molecular Properties

Compound Name2-fluoro-4-quinolin-8-ylaniline
PubChem CID81224973
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name2-fluoro-4-quinolin-8-ylaniline
SMILESNc1ccc(-c2cccc3cccnc23)cc1F
InChIInChI=1S/C15H11FN2/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1-9H,17H2
InChIKeyHGIWOBSVTHHYHK-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'}

Analyze 2-fluoro-4-quinolin-8-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-quinolin-8-ylaniline?
The IUPAC name of 2-fluoro-4-quinolin-8-ylaniline (CID 81224973) is 2-fluoro-4-quinolin-8-ylaniline.
What is the SMILES notation for 2-fluoro-4-quinolin-8-ylaniline?
The canonical SMILES for 2-fluoro-4-quinolin-8-ylaniline is Nc1ccc(-c2cccc3cccnc23)cc1F.
What is the InChIKey of 2-fluoro-4-quinolin-8-ylaniline?
The InChIKey is HGIWOBSVTHHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-9-11(6-7-14(13)17)12-5-1-3-10-4-2-8-18-15(10)12/h1-9H,17H2.
What are the key properties of 2-fluoro-4-quinolin-8-ylaniline?
2-fluoro-4-quinolin-8-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 2-fluoro-4-quinolin-8-ylaniline is sourced from PubChem (CID 81224973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).