7H-quinolin-8-one;sulfuric acid

C9H9NO5S — CID 70490490

IUPAC7H-quinolin-8-one;sulfuric acid
SMILESO=C1CC=Cc2cccnc21.O=S(=O)(O)O
InChIInChI=1S/C9H7NO.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h1-4,6H,5H2;(H2,1,2,3,4)
InChIKeyVKWHMNSHUSJILV-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.03
Rot. Bonds

About 7H-quinolin-8-one;sulfuric acid

7H-quinolin-8-one;sulfuric acid (PubChem CID 70490490) has the molecular formula C9H9NO5S and a molecular weight of 243.24 g/mol. Its IUPAC name is 7H-quinolin-8-one;sulfuric acid.

Molecular Properties

Compound Name7H-quinolin-8-one;sulfuric acid
PubChem CID70490490
Molecular FormulaC9H9NO5S
Molecular Weight243.24 g/mol
Exact Mass243.02
IUPAC Name7H-quinolin-8-one;sulfuric acid
SMILESO=C1CC=Cc2cccnc21.O=S(=O)(O)O
InChIInChI=1S/C9H7NO.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h1-4,6H,5H2;(H2,1,2,3,4)
InChIKeyVKWHMNSHUSJILV-UHFFFAOYSA-N
XLogP1.03
TPSA104.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of 7H-quinolin-8-one;sulfuric acid?
The IUPAC name of 7H-quinolin-8-one;sulfuric acid (CID 70490490) is 7H-quinolin-8-one;sulfuric acid.
What is the SMILES notation for 7H-quinolin-8-one;sulfuric acid?
The canonical SMILES for 7H-quinolin-8-one;sulfuric acid is O=C1CC=Cc2cccnc21.O=S(=O)(O)O.
What is the InChIKey of 7H-quinolin-8-one;sulfuric acid?
The InChIKey is VKWHMNSHUSJILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h1-4,6H,5H2;(H2,1,2,3,4).
What are the key properties of 7H-quinolin-8-one;sulfuric acid?
7H-quinolin-8-one;sulfuric acid has a molecular weight of 243.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-quinolin-8-one;sulfuric acid is sourced from PubChem (CID 70490490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).