3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one

C11H14BrN3O — CID 84643367

IUPAC3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2c(Br)cccc2NC(=O)C1CCN
InChIInChI=1S/C11H14BrN3O/c1-15-9(5-6-13)11(16)14-8-4-2-3-7(12)10(8)15/h2-4,9H,5-6,13H2,1H3,(H,14,16)
InChIKeyDNAMZDPFBOXHGL-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.55
Rot. Bonds2

About 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one

3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 84643367) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID84643367
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2c(Br)cccc2NC(=O)C1CCN
InChIInChI=1S/C11H14BrN3O/c1-15-9(5-6-13)11(16)14-8-4-2-3-7(12)10(8)15/h2-4,9H,5-6,13H2,1H3,(H,14,16)
InChIKeyDNAMZDPFBOXHGL-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one (CID 84643367) is 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one is CN1c2c(Br)cccc2NC(=O)C1CCN.
What is the InChIKey of 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is DNAMZDPFBOXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-15-9(5-6-13)11(16)14-8-4-2-3-7(12)10(8)15/h2-4,9H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one?
3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 84643367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).