3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one

C17H14F2N2OS — CID 2365337

IUPAC3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
SMILESCC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2OS/c1-10(2)23-17-20-14-6-4-3-5-12(14)16(22)21(17)15-8-7-11(18)9-13(15)19/h3-10H,1-2H3
InChIKeyYCKNSNNBRFZBEB-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.16
Rot. Bonds3

About 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one

3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one (PubChem CID 2365337) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
PubChem CID2365337
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
SMILESCC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2OS/c1-10(2)23-17-20-14-6-4-3-5-12(14)16(22)21(17)15-8-7-11(18)9-13(15)19/h3-10H,1-2H3
InChIKeyYCKNSNNBRFZBEB-UHFFFAOYSA-N
XLogP4.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 75863016
(2S)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2586102
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
3-(2,4-difluorophenyl)-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]quinazolin-4-one
CID 46824343
N-(cyclohexylmethyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42973964
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2652421
3-(2,4-difluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 2365295
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 16532167
6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one
CID 136966181
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 41326830
3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 32698535
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 3631266

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one (CID 2365337) is 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one is CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one?
The InChIKey is YCKNSNNBRFZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c1-10(2)23-17-20-14-6-4-3-5-12(14)16(22)21(17)15-8-7-11(18)9-13(15)19/h3-10H,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one?
3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one has a molecular weight of 332.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one is sourced from PubChem (CID 2365337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).