4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline

C15H10BrCl2N3 — CID 43773739

IUPAC4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cnc2ccccc2n1
InChIInChI=1S/C15H10BrCl2N3/c16-9-5-11(17)15(12(18)6-9)20-8-10-7-19-13-3-1-2-4-14(13)21-10/h1-7,20H,8H2
InChIKeyDOJXUIQREQQHGV-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.31
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline (PubChem CID 43773739) has the molecular formula C15H10BrCl2N3 and a molecular weight of 383.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
PubChem CID43773739
Molecular FormulaC15H10BrCl2N3
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cnc2ccccc2n1
InChIInChI=1S/C15H10BrCl2N3/c16-9-5-11(17)15(12(18)6-9)20-8-10-7-19-13-3-1-2-4-14(13)21-10/h1-7,20H,8H2
InChIKeyDOJXUIQREQQHGV-UHFFFAOYSA-N
XLogP5.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline (CID 43773739) is 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCc1cnc2ccccc2n1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline?
The InChIKey is DOJXUIQREQQHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3/c16-9-5-11(17)15(12(18)6-9)20-8-10-7-19-13-3-1-2-4-14(13)21-10/h1-7,20H,8H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline has a molecular weight of 383.08 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline is sourced from PubChem (CID 43773739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).