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

C20H13F3N4 — CID 1361994

IUPAC2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)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)
InChIKeyYZVGCOGDFKMVQC-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.45
Rot. Bonds3

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

2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 1361994) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID1361994
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)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)
InChIKeyYZVGCOGDFKMVQC-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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Related Compounds

6-Aminoquinazoline
CID 589288
Spautin-1
CID 51037431
Ngd-8243
CID 11247522
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
CR-4056
CID 24898732
A804598
CID 53325874
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
NSC 23766 trihydrochloride
CID 16759159

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 1361994) is 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is YZVGCOGDFKMVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)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-(trifluoromethyl)phenyl]quinazolin-4-amine?
2-pyridin-4-yl-N-[3-(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 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 1361994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).