4-methylquinoline-2-sulfonic acid

C10H9NO3S — CID 119081997

IUPAC4-methylquinoline-2-sulfonic acid
SMILESCc1cc(S(=O)(=O)O)nc2ccccc12
InChIInChI=1S/C10H9NO3S/c1-7-6-10(15(12,13)14)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,12,13,14)
InChIKeyJKCLNBMQSUEYBY-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.79
Rot. Bonds1

About 4-methylquinoline-2-sulfonic acid

4-methylquinoline-2-sulfonic acid (PubChem CID 119081997) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-methylquinoline-2-sulfonic acid.

Molecular Properties

Compound Name4-methylquinoline-2-sulfonic acid
PubChem CID119081997
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name4-methylquinoline-2-sulfonic acid
SMILESCc1cc(S(=O)(=O)O)nc2ccccc12
InChIInChI=1S/C10H9NO3S/c1-7-6-10(15(12,13)14)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,12,13,14)
InChIKeyJKCLNBMQSUEYBY-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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Related Compounds

ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
CID 125424625
N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424689
2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
CID 71371296
4-methylquinoline-2-carbaldehyde
CID 12735795
quinoxaline-2-sulfonic acid;hydrochloride
CID 174889444
4-methylnaphthalene-2-sulfonic acid
CID 15706019
(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754669
4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154
4-ethylsulfonyl-1-(4-methylquinolin-2-yl)butan-1-one
CID 114754641
bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
CID 163451180
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
4-(4-methylquinolin-2-yl)cyclohexan-1-one
CID 162401724

Frequently Asked Questions

What is the IUPAC name of 4-methylquinoline-2-sulfonic acid?
The IUPAC name of 4-methylquinoline-2-sulfonic acid (CID 119081997) is 4-methylquinoline-2-sulfonic acid.
What is the SMILES notation for 4-methylquinoline-2-sulfonic acid?
The canonical SMILES for 4-methylquinoline-2-sulfonic acid is Cc1cc(S(=O)(=O)O)nc2ccccc12.
What is the InChIKey of 4-methylquinoline-2-sulfonic acid?
The InChIKey is JKCLNBMQSUEYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-7-6-10(15(12,13)14)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,12,13,14).
What are the key properties of 4-methylquinoline-2-sulfonic acid?
4-methylquinoline-2-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 4-methylquinoline-2-sulfonic acid is sourced from PubChem (CID 119081997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).