N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine

C17H11ClF3N3 — CID 44537175

IUPACN-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2nccc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C17H11ClF3N3/c18-14-4-2-1-3-11(14)10-23-24-16-7-8-22-15-6-5-12(9-13(15)16)17(19,20)21/h1-10H,(H,22,24)
InChIKeyBAKXHZFIXIOHCZ-UHFFFAOYSA-N
MW349.74 g/mol
LogP5.35
Rot. Bonds3

About N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine

N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine (PubChem CID 44537175) has the molecular formula C17H11ClF3N3 and a molecular weight of 349.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
PubChem CID44537175
Molecular FormulaC17H11ClF3N3
Molecular Weight349.74 g/mol
Exact Mass349.06
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2nccc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C17H11ClF3N3/c18-14-4-2-1-3-11(14)10-23-24-16-7-8-22-15-6-5-12(9-13(15)16)17(19,20)21/h1-10H,(H,22,24)
InChIKeyBAKXHZFIXIOHCZ-UHFFFAOYSA-N
XLogP5.35
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.74
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine (CID 44537175) is N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2nccc(NN=Cc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
The InChIKey is BAKXHZFIXIOHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3/c18-14-4-2-1-3-11(14)10-23-24-16-7-8-22-15-6-5-12(9-13(15)16)17(19,20)21/h1-10H,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine has a molecular weight of 349.74 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 44537175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).