N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine

C16H9Cl2F3N4 — CID 6052706

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFC(F)(F)c1nc2ccccc2nc1N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9Cl2F3N4/c17-10-4-3-5-11(18)9(10)8-22-25-15-14(16(19,20)21)23-12-6-1-2-7-13(12)24-15/h1-8H,(H,24,25)/b22-8-
InChIKeyMMWRPDZNOPFAAH-UYOCIXKTSA-N
MW385.18 g/mol
LogP5.40
Rot. Bonds3

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (PubChem CID 6052706) has the molecular formula C16H9Cl2F3N4 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
PubChem CID6052706
Molecular FormulaC16H9Cl2F3N4
Molecular Weight385.18 g/mol
Exact Mass384.02
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFC(F)(F)c1nc2ccccc2nc1N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9Cl2F3N4/c17-10-4-3-5-11(18)9(10)8-22-25-15-14(16(19,20)21)23-12-6-1-2-7-13(12)24-15/h1-8H,(H,24,25)/b22-8-
InChIKeyMMWRPDZNOPFAAH-UYOCIXKTSA-N
XLogP5.40
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.40
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (CID 6052706) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is FC(F)(F)c1nc2ccccc2nc1N/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The InChIKey is MMWRPDZNOPFAAH-UYOCIXKTSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4/c17-10-4-3-5-11(18)9(10)8-22-25-15-14(16(19,20)21)23-12-6-1-2-7-13(12)24-15/h1-8H,(H,24,25)/b22-8-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine has a molecular weight of 385.18 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is sourced from PubChem (CID 6052706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).