3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one

C14H10BrN3O — CID 754594

IUPAC3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one
SMILESNc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C14H10BrN3O/c15-8-5-6-10(16)9(7-8)13-14(19)18-12-4-2-1-3-11(12)17-13/h1-7H,16H2,(H,18,19)
InChIKeyZLSNNRUTNMLOKS-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.93
Rot. Bonds1

About 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one

3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one (PubChem CID 754594) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one
PubChem CID754594
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one
SMILESNc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C14H10BrN3O/c15-8-5-6-10(16)9(7-8)13-14(19)18-12-4-2-1-3-11(12)17-13/h1-7H,16H2,(H,18,19)
InChIKeyZLSNNRUTNMLOKS-UHFFFAOYSA-N
XLogP2.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one (CID 754594) is 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one is Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one?
The InChIKey is ZLSNNRUTNMLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-8-5-6-10(16)9(7-8)13-14(19)18-12-4-2-1-3-11(12)17-13/h1-7H,16H2,(H,18,19).
What are the key properties of 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one?
3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one has a molecular weight of 316.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 754594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).