2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one

C11H7Cl2N3O — CID 114966826

IUPAC2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one
SMILESO=C1CCc2cc3nc(Cl)c(Cl)nc3cc2N1
InChIInChI=1S/C11H7Cl2N3O/c12-10-11(13)16-8-4-6-5(3-7(8)15-10)1-2-9(17)14-6/h3-4H,1-2H2,(H,14,17)
InChIKeyHTOPULYRDJNFJA-UHFFFAOYSA-N
MW268.10 g/mol
LogP2.82
Rot. Bonds

About 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one

2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one (PubChem CID 114966826) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one.

Molecular Properties

Compound Name2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one
PubChem CID114966826
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC Name2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one
SMILESO=C1CCc2cc3nc(Cl)c(Cl)nc3cc2N1
InChIInChI=1S/C11H7Cl2N3O/c12-10-11(13)16-8-4-6-5(3-7(8)15-10)1-2-9(17)14-6/h3-4H,1-2H2,(H,14,17)
InChIKeyHTOPULYRDJNFJA-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one?
The IUPAC name of 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one (CID 114966826) is 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one.
What is the SMILES notation for 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one?
The canonical SMILES for 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one is O=C1CCc2cc3nc(Cl)c(Cl)nc3cc2N1.
What is the InChIKey of 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one?
The InChIKey is HTOPULYRDJNFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c12-10-11(13)16-8-4-6-5(3-7(8)15-10)1-2-9(17)14-6/h3-4H,1-2H2,(H,14,17).
What are the key properties of 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one?
2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one has a molecular weight of 268.10 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one is sourced from PubChem (CID 114966826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).