methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate

C14H14N2O6S — CID 661998

IUPACmethyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
SMILESCOC(=O)COn1c(SCC(=O)OC)nc2ccccc2c1=O
InChIInChI=1S/C14H14N2O6S/c1-20-11(17)7-22-16-13(19)9-5-3-4-6-10(9)15-14(16)23-8-12(18)21-2/h3-6H,7-8H2,1-2H3
InChIKeyAFILFYYGFRBRIA-UHFFFAOYSA-N
MW338.34 g/mol
LogP0.26
Rot. Bonds6

About methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate

methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate (PubChem CID 661998) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
PubChem CID661998
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
SMILESCOC(=O)COn1c(SCC(=O)OC)nc2ccccc2c1=O
InChIInChI=1S/C14H14N2O6S/c1-20-11(17)7-22-16-13(19)9-5-3-4-6-10(9)15-14(16)23-8-12(18)21-2/h3-6H,7-8H2,1-2H3
InChIKeyAFILFYYGFRBRIA-UHFFFAOYSA-N
XLogP0.26
TPSA96.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate with MolForge

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Related Compounds

methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 14721779
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 3785919
methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 4826303
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate (CID 661998) is methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate is COC(=O)COn1c(SCC(=O)OC)nc2ccccc2c1=O.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate?
The InChIKey is AFILFYYGFRBRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-20-11(17)7-22-16-13(19)9-5-3-4-6-10(9)15-14(16)23-8-12(18)21-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate?
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate has a molecular weight of 338.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate is sourced from PubChem (CID 661998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).