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

C17H11F4N3 — CID 44537131

IUPACN-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
SMILESFc1ccccc1C=NNc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H11F4N3/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)
InChIKeyCGLAJQWIFJFCMI-UHFFFAOYSA-N
MW333.29 g/mol
LogP4.84
Rot. Bonds3

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

N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine (PubChem CID 44537131) has the molecular formula C17H11F4N3 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
PubChem CID44537131
Molecular FormulaC17H11F4N3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
SMILESFc1ccccc1C=NNc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H11F4N3/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)
InChIKeyCGLAJQWIFJFCMI-UHFFFAOYSA-N
XLogP4.84
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 54.84
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'}

Analyze N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine (CID 44537131) is N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine is Fc1ccccc1C=NNc1ccnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
The InChIKey is CGLAJQWIFJFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3/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-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine?
N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine has a molecular weight of 333.29 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 44537131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).