1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate

C18H17N3O5S — CID 135959606

IUPAC1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O5S/c1-11(16-20-15-9-4-3-8-14(15)17(22)21-16)26-18(23)12-6-5-7-13(10-12)27(24,25)19-2/h3-11,19H,1-2H3,(H,20,21,22)
InChIKeyRKFGGCXNZZJISM-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate

1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate (PubChem CID 135959606) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate
PubChem CID135959606
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O5S/c1-11(16-20-15-9-4-3-8-14(15)17(22)21-16)26-18(23)12-6-5-7-13(10-12)27(24,25)19-2/h3-11,19H,1-2H3,(H,20,21,22)
InChIKeyRKFGGCXNZZJISM-UHFFFAOYSA-N
XLogP1.75
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 135784488
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate
CID 135991717
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 135745596
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate
CID 135739563
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 136755689
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 135739558
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 135780900
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 135720313

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate?
The IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate (CID 135959606) is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate?
The canonical SMILES for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate?
The InChIKey is RKFGGCXNZZJISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-11(16-20-15-9-4-3-8-14(15)17(22)21-16)26-18(23)12-6-5-7-13(10-12)27(24,25)19-2/h3-11,19H,1-2H3,(H,20,21,22).
What are the key properties of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate?
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate has a molecular weight of 387.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 135959606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).