3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one

C24H20N2O2S — CID 5131440

IUPAC3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H20N2O2S/c1-17(22(27)19-12-6-3-7-13-19)29-24-25-21-15-9-8-14-20(21)23(28)26(24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3
InChIKeyYWSFJPHVGHKFGP-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.81
Rot. Bonds6

About 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one

3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one (PubChem CID 5131440) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
PubChem CID5131440
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H20N2O2S/c1-17(22(27)19-12-6-3-7-13-19)29-24-25-21-15-9-8-14-20(21)23(28)26(24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3
InChIKeyYWSFJPHVGHKFGP-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-[(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl]sulfanylquinazolin-4-one
CID 2402566
N-[4-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 112780266
3-(2-methylpropyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 3635647
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112780256
3-benzyl-7-chloro-2-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 2451745
4-benzyl-1-(1-oxo-1-phenylpropan-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4825097
2-[1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 4814028

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one (CID 5131440) is 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one is CC(Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
The InChIKey is YWSFJPHVGHKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17(22(27)19-12-6-3-7-13-19)29-24-25-21-15-9-8-14-20(21)23(28)26(24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3.
What are the key properties of 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one has a molecular weight of 400.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 5131440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).