3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

C13H15N3O4S — CID 121398649

IUPAC3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c2ccc(S(=O)(=O)NC3(C)CC3)cc2c1=O
InChIInChI=1S/C13H15N3O4S/c1-13(5-6-13)15-21(19,20)8-3-4-10-9(7-8)11(17)16(2)12(18)14-10/h3-4,7,15H,5-6H2,1-2H3,(H,14,18)
InChIKeyYASXIBKHWUEKGC-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.06
Rot. Bonds3

About 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 121398649) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID121398649
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c2ccc(S(=O)(=O)NC3(C)CC3)cc2c1=O
InChIInChI=1S/C13H15N3O4S/c1-13(5-6-13)15-21(19,20)8-3-4-10-9(7-8)11(17)16(2)12(18)14-10/h3-4,7,15H,5-6H2,1-2H3,(H,14,18)
InChIKeyYASXIBKHWUEKGC-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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Related Compounds

Glycosmicine
CID 11788
3-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 344385
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
4-[2-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide
CID 2470552
4-(8-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 127025300
4-(6-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 127025301
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
N-benzyl-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide
CID 1251717
N-cyclohexyl-1,3-diethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 2231501
N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CID 3241621
N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4109389
N-(3-fluoro-2-methylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CID 1505908

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 121398649) is 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is Cn1c(=O)[nH]c2ccc(S(=O)(=O)NC3(C)CC3)cc2c1=O.
What is the InChIKey of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is YASXIBKHWUEKGC-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)16(2)12(18)14-10/h3-4,7,15H,5-6H2,1-2H3,(H,14,18).
What are the key properties of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-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 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 121398649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).