4-phenacylsulfanyl-1-phenylquinazolin-2-one

C22H16N2O2S — CID 2329465

IUPAC4-phenacylsulfanyl-1-phenylquinazolin-2-one
SMILESO=C(CSc1nc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16N2O2S/c25-20(16-9-3-1-4-10-16)15-27-21-18-13-7-8-14-19(18)24(22(26)23-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyJAUQDWDUNUAVRO-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.36
Rot. Bonds5

About 4-phenacylsulfanyl-1-phenylquinazolin-2-one

4-phenacylsulfanyl-1-phenylquinazolin-2-one (PubChem CID 2329465) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-phenacylsulfanyl-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name4-phenacylsulfanyl-1-phenylquinazolin-2-one
PubChem CID2329465
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC Name4-phenacylsulfanyl-1-phenylquinazolin-2-one
SMILESO=C(CSc1nc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16N2O2S/c25-20(16-9-3-1-4-10-16)15-27-21-18-13-7-8-14-19(18)24(22(26)23-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyJAUQDWDUNUAVRO-UHFFFAOYSA-N
XLogP4.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-phenacylsulfanylquinazolin-2-one;hydrobromide
CID 51059142
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
CID 135402231
1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826033
(2S)-2-(2-oxo-4-phenacylsulfanyl-5-phenylpyrimidin-1-yl)-3-phenylpropanoic acid
CID 70126689
1-[3-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]phenyl]pyrrolidin-2-one
CID 24500326
3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-hydroxy-2-phenylisoquinolin-1-one
CID 15273806
6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1049646
3-(4-nitrophenyl)-2-phenacylsulfanylquinazolin-4-one
CID 4181796
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
6-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2983129
1-phenyl-2-(9-phenyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
CID 139249120

Frequently Asked Questions

What is the IUPAC name of 4-phenacylsulfanyl-1-phenylquinazolin-2-one?
The IUPAC name of 4-phenacylsulfanyl-1-phenylquinazolin-2-one (CID 2329465) is 4-phenacylsulfanyl-1-phenylquinazolin-2-one.
What is the SMILES notation for 4-phenacylsulfanyl-1-phenylquinazolin-2-one?
The canonical SMILES for 4-phenacylsulfanyl-1-phenylquinazolin-2-one is O=C(CSc1nc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-phenacylsulfanyl-1-phenylquinazolin-2-one?
The InChIKey is JAUQDWDUNUAVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c25-20(16-9-3-1-4-10-16)15-27-21-18-13-7-8-14-19(18)24(22(26)23-21)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 4-phenacylsulfanyl-1-phenylquinazolin-2-one?
4-phenacylsulfanyl-1-phenylquinazolin-2-one has a molecular weight of 372.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenacylsulfanyl-1-phenylquinazolin-2-one is sourced from PubChem (CID 2329465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).