5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide

C13H17N3O3S — CID 104850383

IUPAC5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H17N3O3S/c1-2-16(8-9-17)20(18,19)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7,17H,2,8-9,14H2,1H3
InChIKeyLNYHOPUQINEDQN-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.82
Rot. Bonds5

About 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide

5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide (PubChem CID 104850383) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
PubChem CID104850383
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H17N3O3S/c1-2-16(8-9-17)20(18,19)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7,17H,2,8-9,14H2,1H3
InChIKeyLNYHOPUQINEDQN-UHFFFAOYSA-N
XLogP0.82
TPSA96.52 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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-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

5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
CID 104850505
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
CID 104850488
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
CID 113317123
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
CID 46556061
N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide (CID 104850383) is 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide is CCN(CCO)S(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide?
The InChIKey is LNYHOPUQINEDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-16(8-9-17)20(18,19)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7,17H,2,8-9,14H2,1H3.
What are the key properties of 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide?
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 104850383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).