4-bromo-N-(quinoxalin-2-ylmethyl)aniline

C15H12BrN3 — CID 43762731

IUPAC4-bromo-N-(quinoxalin-2-ylmethyl)aniline
SMILESBrc1ccc(NCc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12BrN3/c16-11-5-7-12(8-6-11)17-9-13-10-18-14-3-1-2-4-15(14)19-13/h1-8,10,17H,9H2
InChIKeyRTOJIAVKBUFZOH-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.00
Rot. Bonds3

About 4-bromo-N-(quinoxalin-2-ylmethyl)aniline

4-bromo-N-(quinoxalin-2-ylmethyl)aniline (PubChem CID 43762731) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 4-bromo-N-(quinoxalin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(quinoxalin-2-ylmethyl)aniline
PubChem CID43762731
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name4-bromo-N-(quinoxalin-2-ylmethyl)aniline
SMILESBrc1ccc(NCc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H12BrN3/c16-11-5-7-12(8-6-11)17-9-13-10-18-14-3-1-2-4-15(14)19-13/h1-8,10,17H,9H2
InChIKeyRTOJIAVKBUFZOH-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(quinoxalin-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-(quinoxalin-2-ylmethyl)aniline (CID 43762731) is 4-bromo-N-(quinoxalin-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-(quinoxalin-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-(quinoxalin-2-ylmethyl)aniline is Brc1ccc(NCc2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-bromo-N-(quinoxalin-2-ylmethyl)aniline?
The InChIKey is RTOJIAVKBUFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-11-5-7-12(8-6-11)17-9-13-10-18-14-3-1-2-4-15(14)19-13/h1-8,10,17H,9H2.
What are the key properties of 4-bromo-N-(quinoxalin-2-ylmethyl)aniline?
4-bromo-N-(quinoxalin-2-ylmethyl)aniline has a molecular weight of 314.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(quinoxalin-2-ylmethyl)aniline is sourced from PubChem (CID 43762731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).