2-methylquinoline-6-sulfonic acid

C10H9NO3S — CID 3019416

IUPAC2-methylquinoline-6-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)ccc2n1
InChIInChI=1S/C10H9NO3S/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7/h2-6H,1H3,(H,12,13,14)
InChIKeyWTVFVAWTGKJRPC-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.79
Rot. Bonds1

About 2-methylquinoline-6-sulfonic acid

2-methylquinoline-6-sulfonic acid (PubChem CID 3019416) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-methylquinoline-6-sulfonic acid.

Molecular Properties

Compound Name2-methylquinoline-6-sulfonic acid
PubChem CID3019416
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-methylquinoline-6-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)ccc2n1
InChIInChI=1S/C10H9NO3S/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7/h2-6H,1H3,(H,12,13,14)
InChIKeyWTVFVAWTGKJRPC-UHFFFAOYSA-N
XLogP1.79
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methylquinoline-6-sulfonic acid?
The IUPAC name of 2-methylquinoline-6-sulfonic acid (CID 3019416) is 2-methylquinoline-6-sulfonic acid.
What is the SMILES notation for 2-methylquinoline-6-sulfonic acid?
The canonical SMILES for 2-methylquinoline-6-sulfonic acid is Cc1ccc2cc(S(=O)(=O)O)ccc2n1.
What is the InChIKey of 2-methylquinoline-6-sulfonic acid?
The InChIKey is WTVFVAWTGKJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7/h2-6H,1H3,(H,12,13,14).
What are the key properties of 2-methylquinoline-6-sulfonic acid?
2-methylquinoline-6-sulfonic acid has a molecular weight of 223.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylquinoline-6-sulfonic acid is sourced from PubChem (CID 3019416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).