(2-oxo-1H-quinolin-8-yl) hydrogen sulfate

C9H7NO5S — CID 156960910

IUPAC(2-oxo-1H-quinolin-8-yl) hydrogen sulfate
SMILESO=c1ccc2cccc(OS(=O)(=O)O)c2[nH]1
InChIInChI=1S/C9H7NO5S/c11-8-5-4-6-2-1-3-7(9(6)10-8)15-16(12,13)14/h1-5H,(H,10,11)(H,12,13,14)
InChIKeyZLYUIVZAQHFCNP-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.71
Rot. Bonds2

About (2-oxo-1H-quinolin-8-yl) hydrogen sulfate

(2-oxo-1H-quinolin-8-yl) hydrogen sulfate (PubChem CID 156960910) has the molecular formula C9H7NO5S and a molecular weight of 241.22 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-8-yl) hydrogen sulfate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-8-yl) hydrogen sulfate
PubChem CID156960910
Molecular FormulaC9H7NO5S
Molecular Weight241.22 g/mol
Exact Mass241.00
IUPAC Name(2-oxo-1H-quinolin-8-yl) hydrogen sulfate
SMILESO=c1ccc2cccc(OS(=O)(=O)O)c2[nH]1
InChIInChI=1S/C9H7NO5S/c11-8-5-4-6-2-1-3-7(9(6)10-8)15-16(12,13)14/h1-5H,(H,10,11)(H,12,13,14)
InChIKeyZLYUIVZAQHFCNP-UHFFFAOYSA-N
XLogP0.71
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid
CID 82108362
copper;bis(8-hydroxy-1H-quinolin-2-one)
CID 66679069
CID 66863057
CID 66863057
methyl 2-[(2-oxo-1H-quinolin-8-yl)oxy]acetate
CID 66917774
8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 82108347
N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide
CID 167905889
1H-benzo[h]quinolin-2-one
CID 12539195
2-[(2-oxo-1H-quinolin-8-yl)oxy]-N-(2-phenylethyl)acetamide
CID 82108249
8-[(3-methoxyphenyl)methoxy]-1H-quinolin-2-one
CID 82108279
(8-hydroxy-9,10-dioxoanthracen-1-yl) hydrogen sulfate
CID 54412600
[1-(2-sulfooxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate
CID 67157811
8-ethenyl-1H-quinolin-2-one
CID 19892893

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-8-yl) hydrogen sulfate?
The IUPAC name of (2-oxo-1H-quinolin-8-yl) hydrogen sulfate (CID 156960910) is (2-oxo-1H-quinolin-8-yl) hydrogen sulfate.
What is the SMILES notation for (2-oxo-1H-quinolin-8-yl) hydrogen sulfate?
The canonical SMILES for (2-oxo-1H-quinolin-8-yl) hydrogen sulfate is O=c1ccc2cccc(OS(=O)(=O)O)c2[nH]1.
What is the InChIKey of (2-oxo-1H-quinolin-8-yl) hydrogen sulfate?
The InChIKey is ZLYUIVZAQHFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5S/c11-8-5-4-6-2-1-3-7(9(6)10-8)15-16(12,13)14/h1-5H,(H,10,11)(H,12,13,14).
What are the key properties of (2-oxo-1H-quinolin-8-yl) hydrogen sulfate?
(2-oxo-1H-quinolin-8-yl) hydrogen sulfate has a molecular weight of 241.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-8-yl) hydrogen sulfate is sourced from PubChem (CID 156960910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).