8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

C12H12BrN3O4S — CID 170353428

IUPAC8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Br)c3[nH]c(=O)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C12H12BrN3O4S/c1-12(2-3-12)16-21(19,20)6-4-7-9(8(13)5-6)14-11(18)15-10(7)17/h4-5,16H,2-3H2,1H3,(H2,14,15,17,18)
InChIKeyYHMLTNKNOSIIGC-UHFFFAOYSA-N
MW374.22 g/mol
LogP0.81
Rot. Bonds3

About 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 170353428) has the molecular formula C12H12BrN3O4S and a molecular weight of 374.22 g/mol. Its IUPAC name is 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID170353428
Molecular FormulaC12H12BrN3O4S
Molecular Weight374.22 g/mol
Exact Mass372.97
IUPAC Name8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Br)c3[nH]c(=O)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C12H12BrN3O4S/c1-12(2-3-12)16-21(19,20)6-4-7-9(8(13)5-6)14-11(18)15-10(7)17/h4-5,16H,2-3H2,1H3,(H2,14,15,17,18)
InChIKeyYHMLTNKNOSIIGC-UHFFFAOYSA-N
XLogP0.81
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
CID 127040555
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398087
6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-
CID 121398649
1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 134169659
2,4-Dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CID 16790339
N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 121398285
2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide
CID 121398531
8-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 134169714
6-Bromo-8-mercaptoquinazoline-2,4(1h,3h)-dione
CID 119084133
6-Bromo-8-sulfamoylquinazoline-2,4-dione
CID 119084134
6-Bromo-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-8-sulfonic acid
CID 129875967
6-Bromo-8-chlorosulfonylquinazoline-2,4(1h,3h)-dione
CID 129875971

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 170353428) is 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is CC1(NS(=O)(=O)c2cc(Br)c3[nH]c(=O)[nH]c(=O)c3c2)CC1.
What is the InChIKey of 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is YHMLTNKNOSIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O4S/c1-12(2-3-12)16-21(19,20)6-4-7-9(8(13)5-6)14-11(18)15-10(7)17/h4-5,16H,2-3H2,1H3,(H2,14,15,17,18).
What are the key properties of 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 374.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(1-methylcyclopropyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 170353428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).