8-(4-nitrophenyl)sulfanylquinoline

C15H10N2O2S — CID 785610

IUPAC8-(4-nitrophenyl)sulfanylquinoline
SMILESO=[N+]([O-])c1ccc(Sc2cccc3cccnc23)cc1
InChIInChI=1S/C15H10N2O2S/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H
InChIKeyGTGIKNIFMCNNKP-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.29
Rot. Bonds3

About 8-(4-nitrophenyl)sulfanylquinoline

8-(4-nitrophenyl)sulfanylquinoline (PubChem CID 785610) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 8-(4-nitrophenyl)sulfanylquinoline.

Molecular Properties

Compound Name8-(4-nitrophenyl)sulfanylquinoline
PubChem CID785610
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name8-(4-nitrophenyl)sulfanylquinoline
SMILESO=[N+]([O-])c1ccc(Sc2cccc3cccnc23)cc1
InChIInChI=1S/C15H10N2O2S/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H
InChIKeyGTGIKNIFMCNNKP-UHFFFAOYSA-N
XLogP4.29
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of 8-(4-nitrophenyl)sulfanylquinoline?
The IUPAC name of 8-(4-nitrophenyl)sulfanylquinoline (CID 785610) is 8-(4-nitrophenyl)sulfanylquinoline.
What is the SMILES notation for 8-(4-nitrophenyl)sulfanylquinoline?
The canonical SMILES for 8-(4-nitrophenyl)sulfanylquinoline is O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)cc1.
What is the InChIKey of 8-(4-nitrophenyl)sulfanylquinoline?
The InChIKey is GTGIKNIFMCNNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H.
What are the key properties of 8-(4-nitrophenyl)sulfanylquinoline?
8-(4-nitrophenyl)sulfanylquinoline has a molecular weight of 282.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-nitrophenyl)sulfanylquinoline is sourced from PubChem (CID 785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).