3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one

C15H10Cl2N2O2 — CID 22642574

IUPAC3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(7-11(10)17)21-8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20)
InChIKeyPCTPYUOFYHBWJW-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.81
Rot. Bonds3

About 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one

3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one (PubChem CID 22642574) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one
PubChem CID22642574
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(7-11(10)17)21-8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20)
InChIKeyPCTPYUOFYHBWJW-UHFFFAOYSA-N
XLogP3.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one (CID 22642574) is 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one?
The InChIKey is PCTPYUOFYHBWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(7-11(10)17)21-8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one?
3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one has a molecular weight of 321.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 22642574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).