quinolin-2-amine;sulfuric acid

C9H10N2O4S — CID 159149397

IUPACquinolin-2-amine;sulfuric acid
SMILESNc1ccc2ccccc2n1.O=S(=O)(O)O
InChIInChI=1S/C9H8N2.H2O4S/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5(2,3)4/h1-6H,(H2,10,11);(H2,1,2,3,4)
InChIKeyKJBWUDZSIATYCJ-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.16
Rot. Bonds

About quinolin-2-amine;sulfuric acid

quinolin-2-amine;sulfuric acid (PubChem CID 159149397) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is quinolin-2-amine;sulfuric acid.

Molecular Properties

Compound Namequinolin-2-amine;sulfuric acid
PubChem CID159149397
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Namequinolin-2-amine;sulfuric acid
SMILESNc1ccc2ccccc2n1.O=S(=O)(O)O
InChIInChI=1S/C9H8N2.H2O4S/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5(2,3)4/h1-6H,(H2,10,11);(H2,1,2,3,4)
InChIKeyKJBWUDZSIATYCJ-UHFFFAOYSA-N
XLogP1.16
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
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 quinolin-2-amine;sulfuric acid?
The IUPAC name of quinolin-2-amine;sulfuric acid (CID 159149397) is quinolin-2-amine;sulfuric acid.
What is the SMILES notation for quinolin-2-amine;sulfuric acid?
The canonical SMILES for quinolin-2-amine;sulfuric acid is Nc1ccc2ccccc2n1.O=S(=O)(O)O.
What is the InChIKey of quinolin-2-amine;sulfuric acid?
The InChIKey is KJBWUDZSIATYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.H2O4S/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-5(2,3)4/h1-6H,(H2,10,11);(H2,1,2,3,4).
What are the key properties of quinolin-2-amine;sulfuric acid?
quinolin-2-amine;sulfuric acid has a molecular weight of 242.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-amine;sulfuric acid is sourced from PubChem (CID 159149397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).