2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one

C20H20N2O2S — CID 4275809

IUPAC2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
SMILESCCc1ccc(C(=O)C(C)Sc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C20H20N2O2S/c1-4-14-9-11-15(12-10-14)18(23)13(2)25-20-21-17-8-6-5-7-16(17)19(24)22(20)3/h5-13H,4H2,1-3H3
InChIKeyBXYGLRULUIIPLD-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.86
Rot. Bonds5

About 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one

2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one (PubChem CID 4275809) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
PubChem CID4275809
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
SMILESCCc1ccc(C(=O)C(C)Sc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C20H20N2O2S/c1-4-14-9-11-15(12-10-14)18(23)13(2)25-20-21-17-8-6-5-7-16(17)19(24)22(20)3/h5-13H,4H2,1-3H3
InChIKeyBXYGLRULUIIPLD-UHFFFAOYSA-N
XLogP3.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 7979141
2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 7979144
N-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 18085161
2-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
CID 18076158
(2S)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid
CID 10539544
2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869090
2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869088
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112
3-benzyl-2-[(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl]sulfanylquinazolin-4-one
CID 2402566
3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 5131440
3-(2-methylpropyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 3635647

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one (CID 4275809) is 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one is CCc1ccc(C(=O)C(C)Sc2nc3ccccc3c(=O)n2C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one?
The InChIKey is BXYGLRULUIIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-4-14-9-11-15(12-10-14)18(23)13(2)25-20-21-17-8-6-5-7-16(17)19(24)22(20)3/h5-13H,4H2,1-3H3.
What are the key properties of 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one?
2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one is sourced from PubChem (CID 4275809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).