8-cyclohexylsulfanyl-5-nitroquinoline

C15H16N2O2S — CID 154835587

IUPAC8-cyclohexylsulfanyl-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(SC2CCCCC2)c2ncccc12
InChIInChI=1S/C15H16N2O2S/c18-17(19)13-8-9-14(15-12(13)7-4-10-16-15)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2
InChIKeyMVYANCZCJKWCJR-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.57
Rot. Bonds3

About 8-cyclohexylsulfanyl-5-nitroquinoline

8-cyclohexylsulfanyl-5-nitroquinoline (PubChem CID 154835587) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 8-cyclohexylsulfanyl-5-nitroquinoline.

Molecular Properties

Compound Name8-cyclohexylsulfanyl-5-nitroquinoline
PubChem CID154835587
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name8-cyclohexylsulfanyl-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(SC2CCCCC2)c2ncccc12
InChIInChI=1S/C15H16N2O2S/c18-17(19)13-8-9-14(15-12(13)7-4-10-16-15)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2
InChIKeyMVYANCZCJKWCJR-UHFFFAOYSA-N
XLogP4.57
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.57
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

8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
CID 103704192
3-(5-nitroquinolin-8-yl)sulfanylpropane-1,2-diol
CID 79683275
5-methylsulfanyl-8-nitroquinoline
CID 75480915
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
4-(5-nitroquinolin-8-yl)sulfanylquinazoline
CID 3025180
8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
4-bromo-1-cyclohexylsulfanyl-2-nitrobenzene
CID 60647428

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexylsulfanyl-5-nitroquinoline?
The IUPAC name of 8-cyclohexylsulfanyl-5-nitroquinoline (CID 154835587) is 8-cyclohexylsulfanyl-5-nitroquinoline.
What is the SMILES notation for 8-cyclohexylsulfanyl-5-nitroquinoline?
The canonical SMILES for 8-cyclohexylsulfanyl-5-nitroquinoline is O=[N+]([O-])c1ccc(SC2CCCCC2)c2ncccc12.
What is the InChIKey of 8-cyclohexylsulfanyl-5-nitroquinoline?
The InChIKey is MVYANCZCJKWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-17(19)13-8-9-14(15-12(13)7-4-10-16-15)20-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2.
What are the key properties of 8-cyclohexylsulfanyl-5-nitroquinoline?
8-cyclohexylsulfanyl-5-nitroquinoline has a molecular weight of 288.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexylsulfanyl-5-nitroquinoline is sourced from PubChem (CID 154835587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).