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

C20H13F3N4 — CID 3233567

IUPACN-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)16-7-3-1-5-14(16)18-26-17-8-4-2-6-15(17)19(27-18)25-13-9-11-24-12-10-13/h1-12H,(H,24,25,26,27)
InChIKeyKEOSJTIYNSQYET-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.45
Rot. Bonds3

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

N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3233567) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3233567
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC NameN-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)16-7-3-1-5-14(16)18-26-17-8-4-2-6-15(17)19(27-18)25-13-9-11-24-12-10-13/h1-12H,(H,24,25,26,27)
InChIKeyKEOSJTIYNSQYET-UHFFFAOYSA-N
XLogP5.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3233567) is N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1.
What is the InChIKey of N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is KEOSJTIYNSQYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-20(22,23)16-7-3-1-5-14(16)18-26-17-8-4-2-6-15(17)19(27-18)25-13-9-11-24-12-10-13/h1-12H,(H,24,25,26,27).
What are the key properties of N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 366.35 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3233567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).