3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide

C13H17N3O3S — CID 81243850

IUPAC3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide
SMILESCn1c(=O)cc(NCCCS(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H17N3O3S/c1-16-12-6-3-2-5-10(12)11(9-13(16)17)15-7-4-8-20(14,18)19/h2-3,5-6,9,15H,4,7-8H2,1H3,(H2,14,18,19)
InChIKeyMYRDZZJQZUQEJJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.63
Rot. Bonds5

About 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide

3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide (PubChem CID 81243850) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide
PubChem CID81243850
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide
SMILESCn1c(=O)cc(NCCCS(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H17N3O3S/c1-16-12-6-3-2-5-10(12)11(9-13(16)17)15-7-4-8-20(14,18)19/h2-3,5-6,9,15H,4,7-8H2,1H3,(H2,14,18,19)
InChIKeyMYRDZZJQZUQEJJ-UHFFFAOYSA-N
XLogP0.63
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-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 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide (CID 81243850) is 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide is Cn1c(=O)cc(NCCCS(N)(=O)=O)c2ccccc21.
What is the InChIKey of 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide?
The InChIKey is MYRDZZJQZUQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16-12-6-3-2-5-10(12)11(9-13(16)17)15-7-4-8-20(14,18)19/h2-3,5-6,9,15H,4,7-8H2,1H3,(H2,14,18,19).
What are the key properties of 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide?
3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxoquinolin-4-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 81243850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).