2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

C20H13F3N4O — CID 71296008

IUPAC2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)28-15-5-3-4-14(12-15)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27)
InChIKeyUHTPNQZQGLLWGU-UHFFFAOYSA-N
MW382.35 g/mol
LogP5.33
Rot. Bonds4

About 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 71296008) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID71296008
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)28-15-5-3-4-14(12-15)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27)
InChIKeyUHTPNQZQGLLWGU-UHFFFAOYSA-N
XLogP5.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 71296008) is 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is FC(F)(F)Oc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is UHTPNQZQGLLWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)28-15-5-3-4-14(12-15)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27).
What are the key properties of 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 382.35 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 71296008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).