4,5,7-trichloroquinolin-8-ol

C9H4Cl3NO — CID 10999408

IUPAC4,5,7-trichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2c(Cl)ccnc12
InChIInChI=1S/C9H4Cl3NO/c10-4-1-2-13-8-7(4)5(11)3-6(12)9(8)14/h1-3,14H
InChIKeyFQGGQGZSYUIWKW-UHFFFAOYSA-N
MW248.50 g/mol
LogP3.90
Rot. Bonds

About 4,5,7-trichloroquinolin-8-ol

4,5,7-trichloroquinolin-8-ol (PubChem CID 10999408) has the molecular formula C9H4Cl3NO and a molecular weight of 248.50 g/mol. Its IUPAC name is 4,5,7-trichloroquinolin-8-ol.

Molecular Properties

Compound Name4,5,7-trichloroquinolin-8-ol
PubChem CID10999408
Molecular FormulaC9H4Cl3NO
Molecular Weight248.50 g/mol
Exact Mass246.94
IUPAC Name4,5,7-trichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2c(Cl)ccnc12
InChIInChI=1S/C9H4Cl3NO/c10-4-1-2-13-8-7(4)5(11)3-6(12)9(8)14/h1-3,14H
InChIKeyFQGGQGZSYUIWKW-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloroquinolin-8-ol?
The IUPAC name of 4,5,7-trichloroquinolin-8-ol (CID 10999408) is 4,5,7-trichloroquinolin-8-ol.
What is the SMILES notation for 4,5,7-trichloroquinolin-8-ol?
The canonical SMILES for 4,5,7-trichloroquinolin-8-ol is Oc1c(Cl)cc(Cl)c2c(Cl)ccnc12.
What is the InChIKey of 4,5,7-trichloroquinolin-8-ol?
The InChIKey is FQGGQGZSYUIWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3NO/c10-4-1-2-13-8-7(4)5(11)3-6(12)9(8)14/h1-3,14H.
What are the key properties of 4,5,7-trichloroquinolin-8-ol?
4,5,7-trichloroquinolin-8-ol has a molecular weight of 248.50 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloroquinolin-8-ol is sourced from PubChem (CID 10999408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).