(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate

C24H20ClN3O5S — CID 135729934

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H20ClN3O5S/c1-2-28(18-6-4-3-5-7-18)34(31,32)19-11-8-16(9-12-19)24(30)33-15-22-26-21-14-17(25)10-13-20(21)23(29)27-22/h3-14H,2,15H2,1H3,(H,26,27,29)
InChIKeyRTZZLODODLVLGC-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.15
Rot. Bonds7

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 135729934) has the molecular formula C24H20ClN3O5S and a molecular weight of 497.96 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID135729934
Molecular FormulaC24H20ClN3O5S
Molecular Weight497.96 g/mol
Exact Mass497.08
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H20ClN3O5S/c1-2-28(18-6-4-3-5-7-18)34(31,32)19-11-8-16(9-12-19)24(30)33-15-22-26-21-14-17(25)10-13-20(21)23(29)27-22/h3-14H,2,15H2,1H3,(H,26,27,29)
InChIKeyRTZZLODODLVLGC-UHFFFAOYSA-N
XLogP4.15
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 135729974
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 135737744
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(benzylamino)-3-nitrobenzoate
CID 135730046
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2647341
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 135738012
(2-chloroquinolin-3-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 46810230

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate (CID 135729934) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is RTZZLODODLVLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5S/c1-2-28(18-6-4-3-5-7-18)34(31,32)19-11-8-16(9-12-19)24(30)33-15-22-26-21-14-17(25)10-13-20(21)23(29)27-22/h3-14H,2,15H2,1H3,(H,26,27,29).
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 497.96 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 135729934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).