4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one

C13H11BrN4O — CID 61228469

IUPAC4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1cc(Br)cnc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H11BrN4O/c14-8-5-9(15)13(16-6-8)18-7-12(19)17-10-3-1-2-4-11(10)18/h1-6H,7,15H2,(H,17,19)
InChIKeyUMVBECROYJJPFE-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.52
Rot. Bonds1

About 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one

4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 61228469) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
PubChem CID61228469
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1cc(Br)cnc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H11BrN4O/c14-8-5-9(15)13(16-6-8)18-7-12(19)17-10-3-1-2-4-11(10)18/h1-6H,7,15H2,(H,17,19)
InChIKeyUMVBECROYJJPFE-UHFFFAOYSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one (CID 61228469) is 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one is Nc1cc(Br)cnc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is UMVBECROYJJPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c14-8-5-9(15)13(16-6-8)18-7-12(19)17-10-3-1-2-4-11(10)18/h1-6H,7,15H2,(H,17,19).
What are the key properties of 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one?
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 319.16 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 61228469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).