(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate

C20H21ClN4O4S — CID 27911696

IUPAC(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc(N)c3ccccc3n2)ccc1Cl
InChIInChI=1S/C20H21ClN4O4S/c1-3-25(4-2)30(27,28)17-11-13(9-10-15(17)21)20(26)29-12-18-23-16-8-6-5-7-14(16)19(22)24-18/h5-11H,3-4,12H2,1-2H3,(H2,22,23,24)
InChIKeyGFTOUGWLXYXVDJ-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.25
Rot. Bonds7

About (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate

(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate (PubChem CID 27911696) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
PubChem CID27911696
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC Name(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc(N)c3ccccc3n2)ccc1Cl
InChIInChI=1S/C20H21ClN4O4S/c1-3-25(4-2)30(27,28)17-11-13(9-10-15(17)21)20(26)29-12-18-23-16-8-6-5-7-14(16)19(22)24-18/h5-11H,3-4,12H2,1-2H3,(H2,22,23,24)
InChIKeyGFTOUGWLXYXVDJ-UHFFFAOYSA-N
XLogP3.25
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510458
(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
CID 9451944
(4-bromophenyl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
CID 3281327
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 55453944
(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
CID 17416373
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
[2-(4-chlorophenyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510708
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546066
(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55453529
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 16521886
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 42070012
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 55524939

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate (CID 27911696) is (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc(N)c3ccccc3n2)ccc1Cl.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate?
The InChIKey is GFTOUGWLXYXVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-3-25(4-2)30(27,28)17-11-13(9-10-15(17)21)20(26)29-12-18-23-16-8-6-5-7-14(16)19(22)24-18/h5-11H,3-4,12H2,1-2H3,(H2,22,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate?
(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate has a molecular weight of 448.93 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 27911696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).