4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid

C14H18N2O4S — CID 134607325

IUPAC4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid
SMILESO=C1CCN(C2CCNCC2)c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C14H18N2O4S/c17-14-5-8-16(10-3-6-15-7-4-10)13-2-1-11(9-12(13)14)21(18,19)20/h1-2,9-10,15H,3-8H2,(H,18,19,20)
InChIKeyZDCILXACPYQXQG-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.08
Rot. Bonds2

About 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid

4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid (PubChem CID 134607325) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid.

Molecular Properties

Compound Name4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid
PubChem CID134607325
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid
SMILESO=C1CCN(C2CCNCC2)c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C14H18N2O4S/c17-14-5-8-16(10-3-6-15-7-4-10)13-2-1-11(9-12(13)14)21(18,19)20/h1-2,9-10,15H,3-8H2,(H,18,19,20)
InChIKeyZDCILXACPYQXQG-UHFFFAOYSA-N
XLogP1.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid?
The IUPAC name of 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid (CID 134607325) is 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid.
What is the SMILES notation for 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid?
The canonical SMILES for 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid is O=C1CCN(C2CCNCC2)c2ccc(S(=O)(=O)O)cc21.
What is the InChIKey of 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid?
The InChIKey is ZDCILXACPYQXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-14-5-8-16(10-3-6-15-7-4-10)13-2-1-11(9-12(13)14)21(18,19)20/h1-2,9-10,15H,3-8H2,(H,18,19,20).
What are the key properties of 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid?
4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid has a molecular weight of 310.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-piperidin-4-yl-2,3-dihydroquinoline-6-sulfonic acid is sourced from PubChem (CID 134607325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).