1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one

C17H13FN2OS — CID 78761229

IUPAC1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccccc12)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c1-11(16(21)12-6-8-13(18)9-7-12)22-17-14-4-2-3-5-15(14)19-10-20-17/h2-11H,1H3
InChIKeyVFSLPLOLIBENOC-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one

1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one (PubChem CID 78761229) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
PubChem CID78761229
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccccc12)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c1-11(16(21)12-6-8-13(18)9-7-12)22-17-14-4-2-3-5-15(14)19-10-20-17/h2-11H,1H3
InChIKeyVFSLPLOLIBENOC-UHFFFAOYSA-N
XLogP4.13
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(difluoromethoxy)phenyl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9323669
1-(4-fluorophenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 51319792
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 78761224
(2S)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 7239456
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2S)-1-(4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 93040180
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 7887430
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanone
CID 60895654
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one (CID 78761229) is 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one is CC(Sc1ncnc2ccccc12)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one?
The InChIKey is VFSLPLOLIBENOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11(16(21)12-6-8-13(18)9-7-12)22-17-14-4-2-3-5-15(14)19-10-20-17/h2-11H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one?
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one has a molecular weight of 312.37 g/mol, XLogP of 4.13, 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-ylsulfanylpropan-1-one is sourced from PubChem (CID 78761229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).