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

C18H17N3O5S — CID 135464878

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(24,25)13-9-7-12(8-10-13)18(23)26-11-16-19-15-6-4-3-5-14(15)17(22)20-16/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeySILWCOBEEYFDLS-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.53
Rot. Bonds5

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

(4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 135464878) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID135464878
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(24,25)13-9-7-12(8-10-13)18(23)26-11-16-19-15-6-4-3-5-14(15)17(22)20-16/h3-10H,11H2,1-2H3,(H,19,20,22)
InChIKeySILWCOBEEYFDLS-UHFFFAOYSA-N
XLogP1.53
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2419487
[2-(2-Methylpropylamino)-2-oxoethyl] 4-[(2-methylphenyl)sulfamoyl]benzoate
CID 2540963
2-{4-[(4-Acetamidobenzenesulfonyl)imino]-1,3,5-triazinan-1-YL}ethyl benzoate
CID 2929353
ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate
CID 16033722
methyl 2-[(3-morpholin-4-ylsulfonylbenzoyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135775971
Methyl 2-({2-[methyl(phenylsulfonyl)amino]benzoyl}amino)benzoate
CID 1303230
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2090656
4,N-Dimethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide
CID 15541219
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(2-hydroxyethylamino)benzoate
CID 24336758
Ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate
CID 24687568
[2-oxo-2-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(2-hydroxyethylamino)benzoate
CID 25163153
2-(Diethylamino)ethyl 2-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate--hydrogen chloride (1/1)
CID 17482

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate (CID 135464878) is (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is SILWCOBEEYFDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-21(2)27(24,25)13-9-7-12(8-10-13)18(23)26-11-16-19-15-6-4-3-5-14(15)17(22)20-16/h3-10H,11H2,1-2H3,(H,19,20,22).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 387.42 g/mol, XLogP of 1.53, 5 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-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 135464878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).