N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C21H15F3N4 — CID 3233261

IUPACN-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C21H15F3N4/c22-21(23,24)18-6-2-1-5-16(18)15-7-8-19-17(10-15)20(28-13-27-19)26-12-14-4-3-9-25-11-14/h1-11,13H,12H2,(H,26,27,28)
InChIKeyNVEBXARKNMJIHY-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.32
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3233261) has the molecular formula C21H15F3N4 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3233261
Molecular FormulaC21H15F3N4
Molecular Weight380.37 g/mol
Exact Mass380.12
IUPAC NameN-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C21H15F3N4/c22-21(23,24)18-6-2-1-5-16(18)15-7-8-19-17(10-15)20(28-13-27-19)26-12-14-4-3-9-25-11-14/h1-11,13H,12H2,(H,26,27,28)
InChIKeyNVEBXARKNMJIHY-UHFFFAOYSA-N
XLogP5.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3233261) is N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is NVEBXARKNMJIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4/c22-21(23,24)18-6-2-1-5-16(18)15-7-8-19-17(10-15)20(28-13-27-19)26-12-14-4-3-9-25-11-14/h1-11,13H,12H2,(H,26,27,28).
What are the key properties of N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 380.37 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3233261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).