1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate

C21H23N3O5S — CID 135991717

IUPAC1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H23N3O5S/c1-4-24(5-2)30(27,28)16-10-8-9-15(13-16)21(26)29-14(3)19-22-18-12-7-6-11-17(18)20(25)23-19/h6-14H,4-5H2,1-3H3,(H,22,23,25)
InChIKeyQZMVFVVWVJQKQM-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.87
Rot. Bonds7

About 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate

1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate (PubChem CID 135991717) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate
PubChem CID135991717
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H23N3O5S/c1-4-24(5-2)30(27,28)16-10-8-9-15(13-16)21(26)29-14(3)19-22-18-12-7-6-11-17(18)20(25)23-19/h6-14H,4-5H2,1-3H3,(H,22,23,25)
InChIKeyQZMVFVVWVJQKQM-UHFFFAOYSA-N
XLogP2.87
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate
CID 135959606
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 135784488
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 135745596
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate
CID 135739563
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 135745967
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(dimethylamino)benzoate
CID 136833624
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 135720313
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 135739558

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate (CID 135991717) is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is QZMVFVVWVJQKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-24(5-2)30(27,28)16-10-8-9-15(13-16)21(26)29-14(3)19-22-18-12-7-6-11-17(18)20(25)23-19/h6-14H,4-5H2,1-3H3,(H,22,23,25).
What are the key properties of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate?
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 429.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 135991717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).