2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H23N3O3S — CID 8843324

IUPAC2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCCN3CCCC3)ccc2N1
InChIInChI=1S/C16H23N3O3S/c20-16-7-4-13-12-14(5-6-15(13)18-16)23(21,22)17-8-3-11-19-9-1-2-10-19/h5-6,12,17H,1-4,7-11H2,(H,18,20)
InChIKeyGJWPIYGQWXSXGW-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.34
Rot. Bonds6

About 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide

2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 8843324) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID8843324
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCCN3CCCC3)ccc2N1
InChIInChI=1S/C16H23N3O3S/c20-16-7-4-13-12-14(5-6-15(13)18-16)23(21,22)17-8-3-11-19-9-1-2-10-19/h5-6,12,17H,1-4,7-11H2,(H,18,20)
InChIKeyGJWPIYGQWXSXGW-UHFFFAOYSA-N
XLogP1.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106786
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-(3-carbazol-9-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154858696
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
2-oxo-N-(2-phenylsulfanylethyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 27665585
N-(2-morpholin-4-ylethyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110285252
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 8843324) is 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCCCN3CCCC3)ccc2N1.
What is the InChIKey of 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is GJWPIYGQWXSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16-7-4-13-12-14(5-6-15(13)18-16)23(21,22)17-8-3-11-19-9-1-2-10-19/h5-6,12,17H,1-4,7-11H2,(H,18,20).
What are the key properties of 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide?
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 8843324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).