1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide

C14H15N3O6S — CID 51066200

IUPAC1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3CCOC3=O)ccc2n(C)c1=O
InChIInChI=1S/C14H15N3O6S/c1-16-11-4-3-8(7-9(11)12(18)17(2)14(16)20)24(21,22)15-10-5-6-23-13(10)19/h3-4,7,10,15H,5-6H2,1-2H3
InChIKeyKWGMCGNRWVXXOI-UHFFFAOYSA-N
MW353.36 g/mol
LogP-1.17
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide

1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide (PubChem CID 51066200) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
PubChem CID51066200
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3CCOC3=O)ccc2n(C)c1=O
InChIInChI=1S/C14H15N3O6S/c1-16-11-4-3-8(7-9(11)12(18)17(2)14(16)20)24(21,22)15-10-5-6-23-13(10)19/h3-4,7,10,15H,5-6H2,1-2H3
InChIKeyKWGMCGNRWVXXOI-UHFFFAOYSA-N
XLogP-1.17
TPSA116.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide
CID 51500253
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 135183680
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-dimethylquinazoline-2,4-dione
CID 4095521
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 3328350
methyl 3-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]benzoate
CID 47066852

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide (CID 51066200) is 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC3CCOC3=O)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide?
The InChIKey is KWGMCGNRWVXXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-16-11-4-3-8(7-9(11)12(18)17(2)14(16)20)24(21,22)15-10-5-6-23-13(10)19/h3-4,7,10,15H,5-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide has a molecular weight of 353.36 g/mol, XLogP of -1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide is sourced from PubChem (CID 51066200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).