2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline

C15H11Br2N3 — CID 43789270

IUPAC2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
SMILESBrc1ccc(Br)c(NCc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H11Br2N3/c16-10-5-6-12(17)15(7-10)19-9-11-8-18-13-3-1-2-4-14(13)20-11/h1-8,19H,9H2
InChIKeyILMXDBFVZRMYDU-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.77
Rot. Bonds3

About 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline

2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline (PubChem CID 43789270) has the molecular formula C15H11Br2N3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
PubChem CID43789270
Molecular FormulaC15H11Br2N3
Molecular Weight393.08 g/mol
Exact Mass390.93
IUPAC Name2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
SMILESBrc1ccc(Br)c(NCc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H11Br2N3/c16-10-5-6-12(17)15(7-10)19-9-11-8-18-13-3-1-2-4-14(13)20-11/h1-8,19H,9H2
InChIKeyILMXDBFVZRMYDU-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43762731
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859
2,4,5-trichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43759066
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
CID 62809285
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
4-bromo-2-chloro-N-(quinolin-2-ylmethyl)aniline
CID 43236879
2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656219
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline (CID 43789270) is 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline is Brc1ccc(Br)c(NCc2cnc3ccccc3n2)c1.
What is the InChIKey of 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline?
The InChIKey is ILMXDBFVZRMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3/c16-10-5-6-12(17)15(7-10)19-9-11-8-18-13-3-1-2-4-14(13)20-11/h1-8,19H,9H2.
What are the key properties of 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline?
2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline has a molecular weight of 393.08 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline is sourced from PubChem (CID 43789270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).