(2-methylquinolin-8-yl) pyridine-3-sulfonate

C15H12N2O3S — CID 60548894

IUPAC(2-methylquinolin-8-yl) pyridine-3-sulfonate
SMILESCc1ccc2cccc(OS(=O)(=O)c3cccnc3)c2n1
InChIInChI=1S/C15H12N2O3S/c1-11-7-8-12-4-2-6-14(15(12)17-11)20-21(18,19)13-5-3-9-16-10-13/h2-10H,1H3
InChIKeyRVYZGUNLGFZLIS-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.71
Rot. Bonds3

About (2-methylquinolin-8-yl) pyridine-3-sulfonate

(2-methylquinolin-8-yl) pyridine-3-sulfonate (PubChem CID 60548894) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) pyridine-3-sulfonate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) pyridine-3-sulfonate
PubChem CID60548894
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(2-methylquinolin-8-yl) pyridine-3-sulfonate
SMILESCc1ccc2cccc(OS(=O)(=O)c3cccnc3)c2n1
InChIInChI=1S/C15H12N2O3S/c1-11-7-8-12-4-2-6-14(15(12)17-11)20-21(18,19)13-5-3-9-16-10-13/h2-10H,1H3
InChIKeyRVYZGUNLGFZLIS-UHFFFAOYSA-N
XLogP2.71
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) pyridine-3-sulfonate?
The IUPAC name of (2-methylquinolin-8-yl) pyridine-3-sulfonate (CID 60548894) is (2-methylquinolin-8-yl) pyridine-3-sulfonate.
What is the SMILES notation for (2-methylquinolin-8-yl) pyridine-3-sulfonate?
The canonical SMILES for (2-methylquinolin-8-yl) pyridine-3-sulfonate is Cc1ccc2cccc(OS(=O)(=O)c3cccnc3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl) pyridine-3-sulfonate?
The InChIKey is RVYZGUNLGFZLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-11-7-8-12-4-2-6-14(15(12)17-11)20-21(18,19)13-5-3-9-16-10-13/h2-10H,1H3.
What are the key properties of (2-methylquinolin-8-yl) pyridine-3-sulfonate?
(2-methylquinolin-8-yl) pyridine-3-sulfonate has a molecular weight of 300.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) pyridine-3-sulfonate is sourced from PubChem (CID 60548894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).