5,6,7,8-tetrachloro-1H-quinolin-2-one

C9H3Cl4NO — CID 141287332

IUPAC5,6,7,8-tetrachloro-1H-quinolin-2-one
SMILESO=c1ccc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C9H3Cl4NO/c10-5-3-1-2-4(15)14-9(3)8(13)7(12)6(5)11/h1-2H,(H,14,15)
InChIKeyBFJXNNISPVTACK-UHFFFAOYSA-N
MW282.94 g/mol
LogP4.14
Rot. Bonds

About 5,6,7,8-tetrachloro-1H-quinolin-2-one

5,6,7,8-tetrachloro-1H-quinolin-2-one (PubChem CID 141287332) has the molecular formula C9H3Cl4NO and a molecular weight of 282.94 g/mol. Its IUPAC name is 5,6,7,8-tetrachloro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6,7,8-tetrachloro-1H-quinolin-2-one
PubChem CID141287332
Molecular FormulaC9H3Cl4NO
Molecular Weight282.94 g/mol
Exact Mass280.90
IUPAC Name5,6,7,8-tetrachloro-1H-quinolin-2-one
SMILESO=c1ccc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C9H3Cl4NO/c10-5-3-1-2-4(15)14-9(3)8(13)7(12)6(5)11/h1-2H,(H,14,15)
InChIKeyBFJXNNISPVTACK-UHFFFAOYSA-N
XLogP4.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-8-chloro-6-methyl-1H-quinolin-2-one
CID 130017028
5-chloro-6-(methylamino)-1H-quinolin-2-one
CID 14168342
5-bromo-8-hydroxy-1H-quinolin-2-one
CID 71742507
8H-pyrano[2,3-b]pyridine-4,7-dione
CID 87549805
1H-benzo[h]quinolin-2-one
CID 12539195
8-bromo-6-chloro-1H-quinolin-2-one
CID 81272746
5-bromo-6,8-difluoro-1H-quinolin-2-one
CID 102855155
N-(8-methyl-2-oxo-1H-quinolin-5-yl)acetamide
CID 130007544
5-chloro-6-methyl-1H-pyridin-2-one
CID 23318261
6-chloro-5-methoxy-1H-quinolin-2-one
CID 59141010
2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
CID 67281906
5-chloro-6-(4-chloro-2-hydroxyphenyl)-1H-quinolin-2-one
CID 169119776

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrachloro-1H-quinolin-2-one?
The IUPAC name of 5,6,7,8-tetrachloro-1H-quinolin-2-one (CID 141287332) is 5,6,7,8-tetrachloro-1H-quinolin-2-one.
What is the SMILES notation for 5,6,7,8-tetrachloro-1H-quinolin-2-one?
The canonical SMILES for 5,6,7,8-tetrachloro-1H-quinolin-2-one is O=c1ccc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 5,6,7,8-tetrachloro-1H-quinolin-2-one?
The InChIKey is BFJXNNISPVTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4NO/c10-5-3-1-2-4(15)14-9(3)8(13)7(12)6(5)11/h1-2H,(H,14,15).
What are the key properties of 5,6,7,8-tetrachloro-1H-quinolin-2-one?
5,6,7,8-tetrachloro-1H-quinolin-2-one has a molecular weight of 282.94 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrachloro-1H-quinolin-2-one is sourced from PubChem (CID 141287332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).