(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H16ClN3O6S — CID 135729974

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H16ClN3O6S/c22-14-5-8-17-18(10-14)24-19(25-20(17)26)12-31-21(27)13-3-6-16(7-4-13)32(28,29)23-11-15-2-1-9-30-15/h1-10,23H,11-12H2,(H,24,25,26)
InChIKeyNSGJSDMUSYBNKT-UHFFFAOYSA-N
MW473.89 g/mol
LogP3.01
Rot. Bonds7

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 135729974) has the molecular formula C21H16ClN3O6S and a molecular weight of 473.89 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID135729974
Molecular FormulaC21H16ClN3O6S
Molecular Weight473.89 g/mol
Exact Mass473.04
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H16ClN3O6S/c22-14-5-8-17-18(10-14)24-19(25-20(17)26)12-31-21(27)13-3-6-16(7-4-13)32(28,29)23-11-15-2-1-9-30-15/h1-10,23H,11-12H2,(H,24,25,26)
InChIKeyNSGJSDMUSYBNKT-UHFFFAOYSA-N
XLogP3.01
TPSA131.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.89
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402173
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 135729934
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843
2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3441171
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 135850080
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3890109
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 41195143
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118591

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 135729974) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is NSGJSDMUSYBNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O6S/c22-14-5-8-17-18(10-14)24-19(25-20(17)26)12-31-21(27)13-3-6-16(7-4-13)32(28,29)23-11-15-2-1-9-30-15/h1-10,23H,11-12H2,(H,24,25,26).
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 473.89 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 135729974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).