N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide

C13H16ClN3O2S — CID 83223405

IUPACN-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide
SMILESCc1cc2cccc(S(=O)(=O)NCCCN)c2nc1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-9-8-10-4-2-5-11(12(10)17-13(9)14)20(18,19)16-7-3-6-15/h2,4-5,8,16H,3,6-7,15H2,1H3
InChIKeyUMEILKMVSORIDK-UHFFFAOYSA-N
MW313.81 g/mol
LogP1.82
Rot. Bonds5

About N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide

N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide (PubChem CID 83223405) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide
PubChem CID83223405
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide
SMILESCc1cc2cccc(S(=O)(=O)NCCCN)c2nc1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-9-8-10-4-2-5-11(12(10)17-13(9)14)20(18,19)16-7-3-6-15/h2,4-5,8,16H,3,6-7,15H2,1H3
InChIKeyUMEILKMVSORIDK-UHFFFAOYSA-N
XLogP1.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-2-chloro-3-methylquinoline-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

2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 83173175
3-[(2-chloro-3-methylquinolin-8-yl)sulfonylamino]propanoic acid
CID 83171927
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
N-(4-aminobutyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120583575
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 120706697

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide (CID 83223405) is N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide is Cc1cc2cccc(S(=O)(=O)NCCCN)c2nc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide?
The InChIKey is UMEILKMVSORIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-9-8-10-4-2-5-11(12(10)17-13(9)14)20(18,19)16-7-3-6-15/h2,4-5,8,16H,3,6-7,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide?
N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 83223405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).