N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C15H10F3N3 — CID 651672

IUPACN-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
InChIKeyVCOMYMMMFREKQC-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.39
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 651672) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID651672
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC NameN-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
InChIKeyVCOMYMMMFREKQC-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 651672) is N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is VCOMYMMMFREKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21).
What are the key properties of N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 289.26 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 651672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).