5-methylsulfanyl-8-nitroquinoline

C10H8N2O2S — CID 75480915

IUPAC5-methylsulfanyl-8-nitroquinoline
SMILESCSc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C10H8N2O2S/c1-15-9-5-4-8(12(13)14)10-7(9)3-2-6-11-10/h2-6H,1H3
InChIKeyOHSLLHBIYNKTEG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.86
Rot. Bonds2

About 5-methylsulfanyl-8-nitroquinoline

5-methylsulfanyl-8-nitroquinoline (PubChem CID 75480915) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-methylsulfanyl-8-nitroquinoline.

Molecular Properties

Compound Name5-methylsulfanyl-8-nitroquinoline
PubChem CID75480915
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-methylsulfanyl-8-nitroquinoline
SMILESCSc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C10H8N2O2S/c1-15-9-5-4-8(12(13)14)10-7(9)3-2-6-11-10/h2-6H,1H3
InChIKeyOHSLLHBIYNKTEG-UHFFFAOYSA-N
XLogP2.86
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(8-nitroquinolin-5-yl)sulfanylbutanoic acid
CID 105355253
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
2-(8-nitroquinolin-5-yl)sulfanyl-1,3-benzothiazole
CID 3314152
N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
CID 63199554
ethane;8-(4-methylpyrimidin-2-yl)sulfanyl-5-nitroquinoline
CID 144616660
5-(2-chlorobutyl)-8-nitroquinoline
CID 63202545
3-methylsulfanyl-2-nitropyridine
CID 130771705
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-8-nitroquinoline?
The IUPAC name of 5-methylsulfanyl-8-nitroquinoline (CID 75480915) is 5-methylsulfanyl-8-nitroquinoline.
What is the SMILES notation for 5-methylsulfanyl-8-nitroquinoline?
The canonical SMILES for 5-methylsulfanyl-8-nitroquinoline is CSc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 5-methylsulfanyl-8-nitroquinoline?
The InChIKey is OHSLLHBIYNKTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-15-9-5-4-8(12(13)14)10-7(9)3-2-6-11-10/h2-6H,1H3.
What are the key properties of 5-methylsulfanyl-8-nitroquinoline?
5-methylsulfanyl-8-nitroquinoline has a molecular weight of 220.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-8-nitroquinoline is sourced from PubChem (CID 75480915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).