6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one

C18H18N2O4S — CID 22901634

IUPAC6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCCS(=O)(=O)c3ccccn3)ccc2[nH]1
InChIInChI=1S/C18H18N2O4S/c21-17-9-6-14-13-15(7-8-16(14)20-17)24-11-3-4-12-25(22,23)18-5-1-2-10-19-18/h1-2,5-10,13H,3-4,11-12H2,(H,20,21)
InChIKeyUXBIFQZFTVFCDC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.56
Rot. Bonds7

About 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one

6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one (PubChem CID 22901634) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one
PubChem CID22901634
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCCS(=O)(=O)c3ccccn3)ccc2[nH]1
InChIInChI=1S/C18H18N2O4S/c21-17-9-6-14-13-15(7-8-16(14)20-17)24-11-3-4-12-25(22,23)18-5-1-2-10-19-18/h1-2,5-10,13H,3-4,11-12H2,(H,20,21)
InChIKeyUXBIFQZFTVFCDC-UHFFFAOYSA-N
XLogP2.56
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one?
The IUPAC name of 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one (CID 22901634) is 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one?
The canonical SMILES for 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one is O=c1ccc2cc(OCCCCS(=O)(=O)c3ccccn3)ccc2[nH]1.
What is the InChIKey of 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one?
The InChIKey is UXBIFQZFTVFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-17-9-6-14-13-15(7-8-16(14)20-17)24-11-3-4-12-25(22,23)18-5-1-2-10-19-18/h1-2,5-10,13H,3-4,11-12H2,(H,20,21).
What are the key properties of 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one?
6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one is sourced from PubChem (CID 22901634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).