7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione

C15H13NO2S — CID 25028129

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione
SMILESOc1ccc(C2Cc3ccc(O)cc3NC2=S)cc1
InChIInChI=1S/C15H13NO2S/c17-11-4-1-9(2-5-11)13-7-10-3-6-12(18)8-14(10)16-15(13)19/h1-6,8,13,17-18H,7H2,(H,16,19)
InChIKeyYSIYJCVUNLUSRJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.18
Rot. Bonds1

About 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione

7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione (PubChem CID 25028129) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione
PubChem CID25028129
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione
SMILESOc1ccc(C2Cc3ccc(O)cc3NC2=S)cc1
InChIInChI=1S/C15H13NO2S/c17-11-4-1-9(2-5-11)13-7-10-3-6-12(18)8-14(10)16-15(13)19/h1-6,8,13,17-18H,7H2,(H,16,19)
InChIKeyYSIYJCVUNLUSRJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione (CID 25028129) is 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione is Oc1ccc(C2Cc3ccc(O)cc3NC2=S)cc1.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione?
The InChIKey is YSIYJCVUNLUSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-11-4-1-9(2-5-11)13-7-10-3-6-12(18)8-14(10)16-15(13)19/h1-6,8,13,17-18H,7H2,(H,16,19).
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione?
7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione has a molecular weight of 271.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-quinoline-2-thione is sourced from PubChem (CID 25028129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).