N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine

C15H9F4N3 — CID 32677860

IUPACN-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C15H9F4N3/c16-9-5-7-10(8-6-9)20-13-11-3-1-2-4-12(11)21-14(22-13)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyUHJSXKUCMAUDPC-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.53
Rot. Bonds2

About N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine

N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 32677860) has the molecular formula C15H9F4N3 and a molecular weight of 307.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID32677860
Molecular FormulaC15H9F4N3
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC NameN-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C15H9F4N3/c16-9-5-7-10(8-6-9)20-13-11-3-1-2-4-12(11)21-14(22-13)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyUHJSXKUCMAUDPC-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-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-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 32677860) is N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine is Fc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is UHJSXKUCMAUDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3/c16-9-5-7-10(8-6-9)20-13-11-3-1-2-4-12(11)21-14(22-13)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 307.25 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 32677860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).