1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone

C16H11FN2OS — CID 2595063

IUPAC1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-7-5-11(6-8-12)15(20)9-21-16-13-3-1-2-4-14(13)18-10-19-16/h1-8,10H,9H2
InChIKeyGOPVSDVJAVOBLT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone

1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone (PubChem CID 2595063) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
PubChem CID2595063
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-7-5-11(6-8-12)15(20)9-21-16-13-3-1-2-4-14(13)18-10-19-16/h1-8,10H,9H2
InChIKeyGOPVSDVJAVOBLT-UHFFFAOYSA-N
XLogP3.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone 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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 17423624
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 2478100
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
CID 107524879
4-(quinazolin-4-ylsulfanylmethyl)benzoic acid
CID 60625185
4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62579327
2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9323614
2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-phenylethanone
CID 7118966
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
1-(4-fluorophenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1169587

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone (CID 2595063) is 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone is O=C(CSc1ncnc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is GOPVSDVJAVOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-12-7-5-11(6-8-12)15(20)9-21-16-13-3-1-2-4-14(13)18-10-19-16/h1-8,10H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone?
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 298.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 2595063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).