7-phenoxy-1H-quinoline-4-thione

C15H11NOS — CID 19075113

IUPAC7-phenoxy-1H-quinoline-4-thione
SMILESS=c1cc[nH]c2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C15H11NOS/c18-15-8-9-16-14-10-12(6-7-13(14)15)17-11-4-2-1-3-5-11/h1-10H,(H,16,18)
InChIKeyNHVZFFLNRAQXGJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.69
Rot. Bonds2

About 7-phenoxy-1H-quinoline-4-thione

7-phenoxy-1H-quinoline-4-thione (PubChem CID 19075113) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 7-phenoxy-1H-quinoline-4-thione.

Molecular Properties

Compound Name7-phenoxy-1H-quinoline-4-thione
PubChem CID19075113
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name7-phenoxy-1H-quinoline-4-thione
SMILESS=c1cc[nH]c2cc(Oc3ccccc3)ccc12
InChIInChI=1S/C15H11NOS/c18-15-8-9-16-14-10-12(6-7-13(14)15)17-11-4-2-1-3-5-11/h1-10H,(H,16,18)
InChIKeyNHVZFFLNRAQXGJ-UHFFFAOYSA-N
XLogP4.69
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenoxy-1H-quinoline-4-thione?
The IUPAC name of 7-phenoxy-1H-quinoline-4-thione (CID 19075113) is 7-phenoxy-1H-quinoline-4-thione.
What is the SMILES notation for 7-phenoxy-1H-quinoline-4-thione?
The canonical SMILES for 7-phenoxy-1H-quinoline-4-thione is S=c1cc[nH]c2cc(Oc3ccccc3)ccc12.
What is the InChIKey of 7-phenoxy-1H-quinoline-4-thione?
The InChIKey is NHVZFFLNRAQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c18-15-8-9-16-14-10-12(6-7-13(14)15)17-11-4-2-1-3-5-11/h1-10H,(H,16,18).
What are the key properties of 7-phenoxy-1H-quinoline-4-thione?
7-phenoxy-1H-quinoline-4-thione has a molecular weight of 253.33 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxy-1H-quinoline-4-thione is sourced from PubChem (CID 19075113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).