N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine

C16H10ClF3N4 — CID 3835429

IUPACN-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFC(F)(F)c1nc2ccccc2nc1NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N4/c17-11-7-5-10(6-8-11)9-21-24-15-14(16(18,19)20)22-12-3-1-2-4-13(12)23-15/h1-9H,(H,23,24)
InChIKeyLYBUTWOQULQQLO-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.75
Rot. Bonds3

About N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine

N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (PubChem CID 3835429) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
PubChem CID3835429
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
SMILESFC(F)(F)c1nc2ccccc2nc1NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF3N4/c17-11-7-5-10(6-8-11)9-21-24-15-14(16(18,19)20)22-12-3-1-2-4-13(12)23-15/h1-9H,(H,23,24)
InChIKeyLYBUTWOQULQQLO-UHFFFAOYSA-N
XLogP4.75
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.75
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

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 6052706
N-[(Z)-(2-fluorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 6040000
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
N-[(4-chlorophenyl)methylideneamino]-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-amine
CID 7201323
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
3-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]quinoxalin-2-amine
CID 3292221
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
CID 74397084
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
CID 56725889
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine (CID 3835429) is N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is FC(F)(F)c1nc2ccccc2nc1NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
The InChIKey is LYBUTWOQULQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c17-11-7-5-10(6-8-11)9-21-24-15-14(16(18,19)20)22-12-3-1-2-4-13(12)23-15/h1-9H,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine?
N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine has a molecular weight of 350.73 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine is sourced from PubChem (CID 3835429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).