4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one

C9H3Cl4NO2 — CID 54144640

IUPAC4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2c(Cl)c1O
InChIInChI=1S/C9H3Cl4NO2/c10-2-1-3-4(6(12)5(2)11)7(13)8(15)9(16)14-3/h1,15H,(H,14,16)
InChIKeyODMGSWOQEZDOGI-UHFFFAOYSA-N
MW298.94 g/mol
LogP3.85
Rot. Bonds

About 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one

4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one (PubChem CID 54144640) has the molecular formula C9H3Cl4NO2 and a molecular weight of 298.94 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one
PubChem CID54144640
Molecular FormulaC9H3Cl4NO2
Molecular Weight298.94 g/mol
Exact Mass296.89
IUPAC Name4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2c(Cl)c1O
InChIInChI=1S/C9H3Cl4NO2/c10-2-1-3-4(6(12)5(2)11)7(13)8(15)9(16)14-3/h1,15H,(H,14,16)
InChIKeyODMGSWOQEZDOGI-UHFFFAOYSA-N
XLogP3.85
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.94
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one?
The IUPAC name of 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one (CID 54144640) is 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2c(Cl)c1O.
What is the InChIKey of 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one?
The InChIKey is ODMGSWOQEZDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4NO2/c10-2-1-3-4(6(12)5(2)11)7(13)8(15)9(16)14-3/h1,15H,(H,14,16).
What are the key properties of 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one?
4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one has a molecular weight of 298.94 g/mol, XLogP of 3.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-3-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54144640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).