methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate

C19H17N3O3S — CID 46672415

IUPACmethyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C19H17N3O3S/c1-22(16-10-6-4-8-14(16)19(24)25-2)17(23)11-26-18-13-7-3-5-9-15(13)20-12-21-18/h3-10,12H,11H2,1-2H3
InChIKeyCCZIJLVQDFBLPH-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.17
Rot. Bonds5

About methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate

methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate (PubChem CID 46672415) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate
PubChem CID46672415
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C19H17N3O3S/c1-22(16-10-6-4-8-14(16)19(24)25-2)17(23)11-26-18-13-7-3-5-9-15(13)20-12-21-18/h3-10,12H,11H2,1-2H3
InChIKeyCCZIJLVQDFBLPH-UHFFFAOYSA-N
XLogP3.17
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
CID 91962510
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
methyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]benzoate
CID 55481330
methyl 2-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]benzoate
CID 46667992
methyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]benzoate
CID 46665967
2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9323614
methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]benzoate
CID 55468208
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607901

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate (CID 46672415) is methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)CSc1ncnc2ccccc12.
What is the InChIKey of methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate?
The InChIKey is CCZIJLVQDFBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-22(16-10-6-4-8-14(16)19(24)25-2)17(23)11-26-18-13-7-3-5-9-15(13)20-12-21-18/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate?
methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate has a molecular weight of 367.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate is sourced from PubChem (CID 46672415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).