3-amino-6,7-dichloro-1-phenylquinoxalin-2-one

C14H9Cl2N3O — CID 70577319

IUPAC3-amino-6,7-dichloro-1-phenylquinoxalin-2-one
SMILESNc1nc2cc(Cl)c(Cl)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C14H9Cl2N3O/c15-9-6-11-12(7-10(9)16)19(14(20)13(17)18-11)8-4-2-1-3-5-8/h1-7H,(H2,17,18)
InChIKeyZOQRUORENKEBBS-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.27
Rot. Bonds1

About 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one

3-amino-6,7-dichloro-1-phenylquinoxalin-2-one (PubChem CID 70577319) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one.

Molecular Properties

Compound Name3-amino-6,7-dichloro-1-phenylquinoxalin-2-one
PubChem CID70577319
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name3-amino-6,7-dichloro-1-phenylquinoxalin-2-one
SMILESNc1nc2cc(Cl)c(Cl)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C14H9Cl2N3O/c15-9-6-11-12(7-10(9)16)19(14(20)13(17)18-11)8-4-2-1-3-5-8/h1-7H,(H2,17,18)
InChIKeyZOQRUORENKEBBS-UHFFFAOYSA-N
XLogP3.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one?
The IUPAC name of 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one (CID 70577319) is 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one.
What is the SMILES notation for 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one?
The canonical SMILES for 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one is Nc1nc2cc(Cl)c(Cl)cc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one?
The InChIKey is ZOQRUORENKEBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-6-11-12(7-10(9)16)19(14(20)13(17)18-11)8-4-2-1-3-5-8/h1-7H,(H2,17,18).
What are the key properties of 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one?
3-amino-6,7-dichloro-1-phenylquinoxalin-2-one has a molecular weight of 306.15 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dichloro-1-phenylquinoxalin-2-one is sourced from PubChem (CID 70577319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).