6-fluoro-4-pyridin-4-ylsulfanylquinazoline

C13H8FN3S — CID 130258037

IUPAC6-fluoro-4-pyridin-4-ylsulfanylquinazoline
SMILESFc1ccc2ncnc(Sc3ccncc3)c2c1
InChIInChI=1S/C13H8FN3S/c14-9-1-2-12-11(7-9)13(17-8-16-12)18-10-3-5-15-6-4-10/h1-8H
InChIKeyLRPHQLBKFAEOJG-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.32
Rot. Bonds2

About 6-fluoro-4-pyridin-4-ylsulfanylquinazoline

6-fluoro-4-pyridin-4-ylsulfanylquinazoline (PubChem CID 130258037) has the molecular formula C13H8FN3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-fluoro-4-pyridin-4-ylsulfanylquinazoline.

Molecular Properties

Compound Name6-fluoro-4-pyridin-4-ylsulfanylquinazoline
PubChem CID130258037
Molecular FormulaC13H8FN3S
Molecular Weight257.29 g/mol
Exact Mass257.04
IUPAC Name6-fluoro-4-pyridin-4-ylsulfanylquinazoline
SMILESFc1ccc2ncnc(Sc3ccncc3)c2c1
InChIInChI=1S/C13H8FN3S/c14-9-1-2-12-11(7-9)13(17-8-16-12)18-10-3-5-15-6-4-10/h1-8H
InChIKeyLRPHQLBKFAEOJG-UHFFFAOYSA-N
XLogP3.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-4-pyridin-4-ylsulfanylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
4-(4-fluorophenyl)sulfanylquinazolin-6-amine
CID 64588532
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-fluoroquinazoline
CID 133427112
4-cyclopentylsulfanyl-6-fluoroquinazoline
CID 129024670
4-cyclohexylsulfanyl-6-fluoroquinazoline
CID 129024661
2-(6-fluoroquinazolin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 133429829
N-[(4-fluorophenyl)methyl]-5-(6-fluoroquinazolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133426576
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-pyridin-4-ylsulfanylquinazoline?
The IUPAC name of 6-fluoro-4-pyridin-4-ylsulfanylquinazoline (CID 130258037) is 6-fluoro-4-pyridin-4-ylsulfanylquinazoline.
What is the SMILES notation for 6-fluoro-4-pyridin-4-ylsulfanylquinazoline?
The canonical SMILES for 6-fluoro-4-pyridin-4-ylsulfanylquinazoline is Fc1ccc2ncnc(Sc3ccncc3)c2c1.
What is the InChIKey of 6-fluoro-4-pyridin-4-ylsulfanylquinazoline?
The InChIKey is LRPHQLBKFAEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3S/c14-9-1-2-12-11(7-9)13(17-8-16-12)18-10-3-5-15-6-4-10/h1-8H.
What are the key properties of 6-fluoro-4-pyridin-4-ylsulfanylquinazoline?
6-fluoro-4-pyridin-4-ylsulfanylquinazoline has a molecular weight of 257.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-pyridin-4-ylsulfanylquinazoline is sourced from PubChem (CID 130258037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).