methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate

C19H18N2O5S — CID 4826303

IUPACmethyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC
InChIInChI=1S/C19H18N2O5S/c1-24-12-8-9-16(25-2)15(10-12)21-18(23)13-6-4-5-7-14(13)20-19(21)27-11-17(22)26-3/h4-10H,11H2,1-3H3
InChIKeyZCNONBBQYXFMOA-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.67
Rot. Bonds6

About methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate

methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate (PubChem CID 4826303) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
PubChem CID4826303
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Namemethyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC
InChIInChI=1S/C19H18N2O5S/c1-24-12-8-9-16(25-2)15(10-12)21-18(23)13-6-4-5-7-14(13)20-19(21)27-11-17(22)26-3/h4-10H,11H2,1-3H3
InChIKeyZCNONBBQYXFMOA-UHFFFAOYSA-N
XLogP2.67
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,5-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2559699
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
3-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365479
2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 2495997
2-[(3-chlorophenyl)methylsulfanyl]-3-(2,5-dimethoxyphenyl)quinazolin-4-one
CID 51365494
3-(2,5-dimethoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 51365500
3-(2,5-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365481
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
N-(4-acetamidophenyl)-2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3487969
3-(3,4-dimethoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4796928
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one
CID 2467319
N-(2,6-difluorophenyl)-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2395814

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate (CID 4826303) is methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is COC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The InChIKey is ZCNONBBQYXFMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-24-12-8-9-16(25-2)15(10-12)21-18(23)13-6-4-5-7-14(13)20-19(21)27-11-17(22)26-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate has a molecular weight of 386.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate is sourced from PubChem (CID 4826303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).