6-fluoro-4-phenylsulfanylquinazoline

C14H9FN2S — CID 130257398

IUPAC6-fluoro-4-phenylsulfanylquinazoline
SMILESFc1ccc2ncnc(Sc3ccccc3)c2c1
InChIInChI=1S/C14H9FN2S/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H
InChIKeyNNJLWAJQJKKCSY-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.92
Rot. Bonds2

About 6-fluoro-4-phenylsulfanylquinazoline

6-fluoro-4-phenylsulfanylquinazoline (PubChem CID 130257398) has the molecular formula C14H9FN2S and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-fluoro-4-phenylsulfanylquinazoline.

Molecular Properties

Compound Name6-fluoro-4-phenylsulfanylquinazoline
PubChem CID130257398
Molecular FormulaC14H9FN2S
Molecular Weight256.31 g/mol
Exact Mass256.05
IUPAC Name6-fluoro-4-phenylsulfanylquinazoline
SMILESFc1ccc2ncnc(Sc3ccccc3)c2c1
InChIInChI=1S/C14H9FN2S/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H
InChIKeyNNJLWAJQJKKCSY-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-phenylsulfanylquinazoline 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 6-fluoro-4-phenylsulfanylquinazoline?
The IUPAC name of 6-fluoro-4-phenylsulfanylquinazoline (CID 130257398) is 6-fluoro-4-phenylsulfanylquinazoline.
What is the SMILES notation for 6-fluoro-4-phenylsulfanylquinazoline?
The canonical SMILES for 6-fluoro-4-phenylsulfanylquinazoline is Fc1ccc2ncnc(Sc3ccccc3)c2c1.
What is the InChIKey of 6-fluoro-4-phenylsulfanylquinazoline?
The InChIKey is NNJLWAJQJKKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2S/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 6-fluoro-4-phenylsulfanylquinazoline?
6-fluoro-4-phenylsulfanylquinazoline has a molecular weight of 256.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-phenylsulfanylquinazoline is sourced from PubChem (CID 130257398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).