4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline

C15H11BrN4 — CID 174698700

IUPAC4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
SMILESBrc1ccc(N/N=C/c2ccc3nccnc3c2)cc1
InChIInChI=1S/C15H11BrN4/c16-12-2-4-13(5-3-12)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10,20H/b19-10+
InChIKeyWAHSXXCOZURTDK-VXLYETTFSA-N
MW327.19 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline

4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline (PubChem CID 174698700) has the molecular formula C15H11BrN4 and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline.

Molecular Properties

Compound Name4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
PubChem CID174698700
Molecular FormulaC15H11BrN4
Molecular Weight327.19 g/mol
Exact Mass326.02
IUPAC Name4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
SMILESBrc1ccc(N/N=C/c2ccc3nccnc3c2)cc1
InChIInChI=1S/C15H11BrN4/c16-12-2-4-13(5-3-12)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10,20H/b19-10+
InChIKeyWAHSXXCOZURTDK-VXLYETTFSA-N
XLogP3.84
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline
CID 172930208
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
2-fluoro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 174698734
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
4-bromo-N-[(E)-(4-pyrazol-1-ylphenyl)methylideneamino]aniline
CID 155805956
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
CID 167431722
3,4-dichloro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
CID 6146065
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
CID 4545818
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
CID 9076261

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline?
The IUPAC name of 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline (CID 174698700) is 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline.
What is the SMILES notation for 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline?
The canonical SMILES for 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline is Brc1ccc(N/N=C/c2ccc3nccnc3c2)cc1.
What is the InChIKey of 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline?
The InChIKey is WAHSXXCOZURTDK-VXLYETTFSA-N. The full InChI is InChI=1S/C15H11BrN4/c16-12-2-4-13(5-3-12)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10,20H/b19-10+.
What are the key properties of 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline?
4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline has a molecular weight of 327.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline is sourced from PubChem (CID 174698700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).