methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate

C17H15N3O3S — CID 17415513

IUPACmethyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-23-15(21)11-24-17-18-14-10-6-5-9-13(14)16(22)20(17)19-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyXYPFCPKVSQVMPO-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.54
Rot. Bonds5

About methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate

methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate (PubChem CID 17415513) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
PubChem CID17415513
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namemethyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-23-15(21)11-24-17-18-14-10-6-5-9-13(14)16(22)20(17)19-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyXYPFCPKVSQVMPO-UHFFFAOYSA-N
XLogP2.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-anilino-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 17415489
2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 17420196
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide
CID 4789523
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
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303
methyl 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 4826303
methyl 3-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate
CID 7644803
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate (CID 17415513) is methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate is COC(=O)CSc1nc2ccccc2c(=O)n1Nc1ccccc1.
What is the InChIKey of methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate?
The InChIKey is XYPFCPKVSQVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-15(21)11-24-17-18-14-10-6-5-9-13(14)16(22)20(17)19-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3.
What are the key properties of methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate?
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate has a molecular weight of 341.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 17415513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).