3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one

C21H21N3O3S — CID 36515010

IUPAC3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(-n2c(SCCN3CCOC3=O)nc3ccccc3c2=O)cc1C
InChIInChI=1S/C21H21N3O3S/c1-14-7-8-16(13-15(14)2)24-19(25)17-5-3-4-6-18(17)22-20(24)28-12-10-23-9-11-27-21(23)26/h3-8,13H,9-12H2,1-2H3
InChIKeyGSOJUYNETGNRRX-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.55
Rot. Bonds5

About 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one

3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one (PubChem CID 36515010) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one
PubChem CID36515010
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(-n2c(SCCN3CCOC3=O)nc3ccccc3c2=O)cc1C
InChIInChI=1S/C21H21N3O3S/c1-14-7-8-16(13-15(14)2)24-19(25)17-5-3-4-6-18(17)22-20(24)28-12-10-23-9-11-27-21(23)26/h3-8,13H,9-12H2,1-2H3
InChIKeyGSOJUYNETGNRRX-UHFFFAOYSA-N
XLogP3.55
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethyl]-1,3-oxazolidin-2-one
CID 36562761
3-(3,4-dimethylphenyl)-2-[(1-methylimidazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 55488213
3-(3,4-dimethylphenyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]quinazolin-4-one
CID 4848338
3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one
CID 15707810
3-(3,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 46602148
3-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylsulfanyl)quinazolin-4-one
CID 27927500
3-(3,4-dimethylphenyl)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one
CID 7845428
N'-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 16531890
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one
CID 16531999
(2S)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7419965
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one;hydrochloride
CID 52997902
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1391462

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one (CID 36515010) is 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one is Cc1ccc(-n2c(SCCN3CCOC3=O)nc3ccccc3c2=O)cc1C.
What is the InChIKey of 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
The InChIKey is GSOJUYNETGNRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-7-8-16(13-15(14)2)24-19(25)17-5-3-4-6-18(17)22-20(24)28-12-10-23-9-11-27-21(23)26/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 36515010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).