7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide

C12H19N3O2S — CID 114804730

IUPAC7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H19N3O2S/c1-2-7-14-18(16,17)15-8-3-4-10-5-6-11(13)9-12(10)15/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyFGPXYMUWZHVBIS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.27
Rot. Bonds4

About 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide

7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 114804730) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID114804730
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H19N3O2S/c1-2-7-14-18(16,17)15-8-3-4-10-5-6-11(13)9-12(10)15/h5-6,9,14H,2-4,7-8,13H2,1H3
InChIKeyFGPXYMUWZHVBIS-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 114804730) is 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide is CCCNS(=O)(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is FGPXYMUWZHVBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-7-14-18(16,17)15-8-3-4-10-5-6-11(13)9-12(10)15/h5-6,9,14H,2-4,7-8,13H2,1H3.
What are the key properties of 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 114804730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).