(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate

C20H21N3O5S — CID 135734831

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H21N3O5S/c1-3-23(4-2)29(26,27)15-11-9-14(10-12-15)20(25)28-13-18-21-17-8-6-5-7-16(17)19(24)22-18/h5-12H,3-4,13H2,1-2H3,(H,21,22,24)
InChIKeyLDIAFAHYBHEDJB-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.31
Rot. Bonds7

About (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate

(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate (PubChem CID 135734831) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
PubChem CID135734831
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H21N3O5S/c1-3-23(4-2)29(26,27)15-11-9-14(10-12-15)20(25)28-13-18-21-17-8-6-5-7-16(17)19(24)22-18/h5-12H,3-4,13H2,1-2H3,(H,21,22,24)
InChIKeyLDIAFAHYBHEDJB-UHFFFAOYSA-N
XLogP2.31
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 135729934
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate
CID 135665444
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 135901470
(2-chloroquinolin-3-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 46810230
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate (CID 135734831) is (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate?
The InChIKey is LDIAFAHYBHEDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-23(4-2)29(26,27)15-11-9-14(10-12-15)20(25)28-13-18-21-17-8-6-5-7-16(17)19(24)22-18/h5-12H,3-4,13H2,1-2H3,(H,21,22,24).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate has a molecular weight of 415.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 135734831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).