2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline

C15H9Cl3N4 — CID 4316664

IUPAC2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
SMILESClc1cc(Cl)c(NN=Cc2ccc3nccnc3c2)c(Cl)c1
InChIInChI=1S/C15H9Cl3N4/c16-10-6-11(17)15(12(18)7-10)22-21-8-9-1-2-13-14(5-9)20-4-3-19-13/h1-8,22H
InChIKeyDPWDMXYWAHQESY-UHFFFAOYSA-N
MW351.62 g/mol
LogP5.04
Rot. Bonds3

About 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline

2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline (PubChem CID 4316664) has the molecular formula C15H9Cl3N4 and a molecular weight of 351.62 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
PubChem CID4316664
Molecular FormulaC15H9Cl3N4
Molecular Weight351.62 g/mol
Exact Mass349.99
IUPAC Name2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
SMILESClc1cc(Cl)c(NN=Cc2ccc3nccnc3c2)c(Cl)c1
InChIInChI=1S/C15H9Cl3N4/c16-10-6-11(17)15(12(18)7-10)22-21-8-9-1-2-13-14(5-9)20-4-3-19-13/h1-8,22H
InChIKeyDPWDMXYWAHQESY-UHFFFAOYSA-N
XLogP5.04
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 55.04
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-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6050977
4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 174698700
4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
CID 5223162
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
CID 4231773
2-fluoro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 174698734
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline
CID 172930208
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
CID 4545818

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline?
The IUPAC name of 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline (CID 4316664) is 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline is Clc1cc(Cl)c(NN=Cc2ccc3nccnc3c2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline?
The InChIKey is DPWDMXYWAHQESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4/c16-10-6-11(17)15(12(18)7-10)22-21-8-9-1-2-13-14(5-9)20-4-3-19-13/h1-8,22H.
What are the key properties of 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline?
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline has a molecular weight of 351.62 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline is sourced from PubChem (CID 4316664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).