5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine

C13H18BrN5 — CID 15225712

IUPAC5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine
SMILESCCN1CCNc2c1ccc(NC1=NCCN1)c2Br
InChIInChI=1S/C13H18BrN5/c1-2-19-8-7-15-12-10(19)4-3-9(11(12)14)18-13-16-5-6-17-13/h3-4,15H,2,5-8H2,1H3,(H2,16,17,18)
InChIKeyVHUOHDDGJNYALA-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.07
Rot. Bonds2

About 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine (PubChem CID 15225712) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine
PubChem CID15225712
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine
SMILESCCN1CCNc2c1ccc(NC1=NCCN1)c2Br
InChIInChI=1S/C13H18BrN5/c1-2-19-8-7-15-12-10(19)4-3-9(11(12)14)18-13-16-5-6-17-13/h3-4,15H,2,5-8H2,1H3,(H2,16,17,18)
InChIKeyVHUOHDDGJNYALA-UHFFFAOYSA-N
XLogP2.07
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine?
The IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine (CID 15225712) is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine.
What is the SMILES notation for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine?
The canonical SMILES for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine is CCN1CCNc2c1ccc(NC1=NCCN1)c2Br.
What is the InChIKey of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine?
The InChIKey is VHUOHDDGJNYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-2-19-8-7-15-12-10(19)4-3-9(11(12)14)18-13-16-5-6-17-13/h3-4,15H,2,5-8H2,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine?
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine has a molecular weight of 324.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine is sourced from PubChem (CID 15225712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).