2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide

C14H19N3O3S — CID 62157318

IUPAC2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C14H19N3O3S/c1-20-9-3-2-8-16-21(18,19)12-5-6-13-11(10-12)4-7-14(15)17-13/h4-7,10,16H,2-3,8-9H2,1H3,(H2,15,17)
InChIKeyRWSGZKDJGQGMJD-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.52
Rot. Bonds7

About 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide

2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide (PubChem CID 62157318) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
PubChem CID62157318
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C14H19N3O3S/c1-20-9-3-2-8-16-21(18,19)12-5-6-13-11(10-12)4-7-14(15)17-13/h4-7,10,16H,2-3,8-9H2,1H3,(H2,15,17)
InChIKeyRWSGZKDJGQGMJD-UHFFFAOYSA-N
XLogP1.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-methoxybutyl)quinoline-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 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide (CID 62157318) is 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide is COCCCCNS(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide?
The InChIKey is RWSGZKDJGQGMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-9-3-2-8-16-21(18,19)12-5-6-13-11(10-12)4-7-14(15)17-13/h4-7,10,16H,2-3,8-9H2,1H3,(H2,15,17).
What are the key properties of 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide?
2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide is sourced from PubChem (CID 62157318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).