N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine

C26H16F4N4 — CID 70789663

IUPACN-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H16F4N4/c27-22-15-19(8-9-20(22)17-4-3-5-18(14-17)26(28,29)30)32-25-21-6-1-2-7-23(21)33-24(34-25)16-10-12-31-13-11-16/h1-15H,(H,32,33,34)
InChIKeyNIGQPVOORJACPR-UHFFFAOYSA-N
MW460.43 g/mol
LogP7.26
Rot. Bonds4

About N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine

N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 70789663) has the molecular formula C26H16F4N4 and a molecular weight of 460.43 g/mol. Its IUPAC name is N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID70789663
Molecular FormulaC26H16F4N4
Molecular Weight460.43 g/mol
Exact Mass460.13
IUPAC NameN-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H16F4N4/c27-22-15-19(8-9-20(22)17-4-3-5-18(14-17)26(28,29)30)32-25-21-6-1-2-7-23(21)33-24(34-25)16-10-12-31-13-11-16/h1-15H,(H,32,33,34)
InChIKeyNIGQPVOORJACPR-UHFFFAOYSA-N
XLogP7.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine (CID 70789663) is N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine is Fc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is NIGQPVOORJACPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N4/c27-22-15-19(8-9-20(22)17-4-3-5-18(14-17)26(28,29)30)32-25-21-6-1-2-7-23(21)33-24(34-25)16-10-12-31-13-11-16/h1-15H,(H,32,33,34).
What are the key properties of N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 460.43 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70789663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).