1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C13H15N3O4S — CID 121398087

IUPAC1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C13H15N3O4S/c1-13(5-6-13)15-21(19,20)8-3-4-10-9(7-8)11(17)14-12(18)16(10)2/h3-4,7,15H,5-6H2,1-2H3,(H,14,17,18)
InChIKeyHJZHCEWWWJORGI-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.06
Rot. Bonds3

About 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398087) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398087
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C13H15N3O4S/c1-13(5-6-13)15-21(19,20)8-3-4-10-9(7-8)11(17)14-12(18)16(10)2/h3-4,7,15H,5-6H2,1-2H3,(H,14,17,18)
InChIKeyHJZHCEWWWJORGI-UHFFFAOYSA-N
XLogP0.06
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398087) is 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is HJZHCEWWWJORGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-13(5-6-13)15-21(19,20)8-3-4-10-9(7-8)11(17)14-12(18)16(10)2/h3-4,7,15H,5-6H2,1-2H3,(H,14,17,18).
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).