4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one

C12H6Cl2N4O — CID 2798199

IUPAC4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cnc2ccccc2n1
InChIInChI=1S/C12H6Cl2N4O/c13-7-5-16-18(12(19)11(7)14)10-6-15-8-3-1-2-4-9(8)17-10/h1-6H
InChIKeyWIQUDELZHNCMPZ-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.48
Rot. Bonds1

About 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one

4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one (PubChem CID 2798199) has the molecular formula C12H6Cl2N4O and a molecular weight of 293.11 g/mol. Its IUPAC name is 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one
PubChem CID2798199
Molecular FormulaC12H6Cl2N4O
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cnc2ccccc2n1
InChIInChI=1S/C12H6Cl2N4O/c13-7-5-16-18(12(19)11(7)14)10-6-15-8-3-1-2-4-9(8)17-10/h1-6H
InChIKeyWIQUDELZHNCMPZ-UHFFFAOYSA-N
XLogP2.48
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one (CID 2798199) is 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1cnc2ccccc2n1.
What is the InChIKey of 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one?
The InChIKey is WIQUDELZHNCMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N4O/c13-7-5-16-18(12(19)11(7)14)10-6-15-8-3-1-2-4-9(8)17-10/h1-6H.
What are the key properties of 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one?
4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one has a molecular weight of 293.11 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one is sourced from PubChem (CID 2798199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).