1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C14H17N3O4S — CID 134169659

IUPAC1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C14H17N3O4S/c1-14(6-7-14)15-22(20,21)9-4-5-11-10(8-9)12(18)17(3)13(19)16(11)2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyGQYWMELDXMRFKZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.07
Rot. Bonds3

About 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 134169659) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID134169659
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C14H17N3O4S/c1-14(6-7-14)15-22(20,21)9-4-5-11-10(8-9)12(18)17(3)13(19)16(11)2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyGQYWMELDXMRFKZ-UHFFFAOYSA-N
XLogP0.07
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 134169659) is 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is GQYWMELDXMRFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-14(6-7-14)15-22(20,21)9-4-5-11-10(8-9)12(18)17(3)13(19)16(11)2/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 134169659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).