2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one

C24H20N2O2S — CID 7500866

IUPAC2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
SMILESC[C@H](c1ccccc1)n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N2O2S/c1-17(18-10-4-2-5-11-18)26-23(28)20-14-8-9-15-21(20)25-24(26)29-16-22(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyIFIMJEWFTIAGIL-QGZVFWFLSA-N
MW400.50 g/mol
LogP4.98
Rot. Bonds6

About 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one

2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one (PubChem CID 7500866) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
PubChem CID7500866
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
SMILESC[C@H](c1ccccc1)n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N2O2S/c1-17(18-10-4-2-5-11-18)26-23(28)20-14-8-9-15-21(20)25-24(26)29-16-22(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyIFIMJEWFTIAGIL-QGZVFWFLSA-N
XLogP4.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 8676237
3-[(2S)-butan-2-yl]-2-phenacylsulfanylquinazolin-4-one
CID 2624453
2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 2415419
N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 18076375
N-benzyl-N-methyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 42001777
2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
3-[(2S)-butan-2-yl]-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2624377
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2700658
butyl 2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetate
CID 8010239
3-[(2S)-butan-2-yl]-2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2529545

Frequently Asked Questions

What is the IUPAC name of 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one?
The IUPAC name of 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one (CID 7500866) is 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one.
What is the SMILES notation for 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one?
The canonical SMILES for 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one is C[C@H](c1ccccc1)n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one?
The InChIKey is IFIMJEWFTIAGIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17(18-10-4-2-5-11-18)26-23(28)20-14-8-9-15-21(20)25-24(26)29-16-22(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3/t17-/m1/s1.
What are the key properties of 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one?
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one has a molecular weight of 400.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one is sourced from PubChem (CID 7500866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).