3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one

C14H8Cl3N3O — CID 70575907

IUPAC3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one
SMILESNc1nc2cc(Cl)ccc2n(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C14H8Cl3N3O/c15-7-1-3-11(9(17)5-7)20-12-4-2-8(16)6-10(12)19-13(18)14(20)21/h1-6H,(H2,18,19)
InChIKeyIPHUEAKJGPLQBW-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.93
Rot. Bonds1

About 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one

3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one (PubChem CID 70575907) has the molecular formula C14H8Cl3N3O and a molecular weight of 340.60 g/mol. Its IUPAC name is 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one
PubChem CID70575907
Molecular FormulaC14H8Cl3N3O
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one
SMILESNc1nc2cc(Cl)ccc2n(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C14H8Cl3N3O/c15-7-1-3-11(9(17)5-7)20-12-4-2-8(16)6-10(12)19-13(18)14(20)21/h1-6H,(H2,18,19)
InChIKeyIPHUEAKJGPLQBW-UHFFFAOYSA-N
XLogP3.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one?
The IUPAC name of 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one (CID 70575907) is 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one.
What is the SMILES notation for 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one?
The canonical SMILES for 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one is Nc1nc2cc(Cl)ccc2n(-c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one?
The InChIKey is IPHUEAKJGPLQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O/c15-7-1-3-11(9(17)5-7)20-12-4-2-8(16)6-10(12)19-13(18)14(20)21/h1-6H,(H2,18,19).
What are the key properties of 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one?
3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one has a molecular weight of 340.60 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one is sourced from PubChem (CID 70575907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).