7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine

C14H7F4N3 — CID 64983363

IUPAC7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cc(F)c(F)c(F)c2)nc2cc(F)ccc12
InChIInChI=1S/C14H7F4N3/c15-7-1-2-8-11(5-7)20-14(21-13(8)19)6-3-9(16)12(18)10(17)4-6/h1-5H,(H2,19,20,21)
InChIKeyAJKLYTCEXUKUOF-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.44
Rot. Bonds1

About 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine

7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine (PubChem CID 64983363) has the molecular formula C14H7F4N3 and a molecular weight of 293.22 g/mol. Its IUPAC name is 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine
PubChem CID64983363
Molecular FormulaC14H7F4N3
Molecular Weight293.22 g/mol
Exact Mass293.06
IUPAC Name7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cc(F)c(F)c(F)c2)nc2cc(F)ccc12
InChIInChI=1S/C14H7F4N3/c15-7-1-2-8-11(5-7)20-14(21-13(8)19)6-3-9(16)12(18)10(17)4-6/h1-5H,(H2,19,20,21)
InChIKeyAJKLYTCEXUKUOF-UHFFFAOYSA-N
XLogP3.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine (CID 64983363) is 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine is Nc1nc(-c2cc(F)c(F)c(F)c2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine?
The InChIKey is AJKLYTCEXUKUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N3/c15-7-1-2-8-11(5-7)20-14(21-13(8)19)6-3-9(16)12(18)10(17)4-6/h1-5H,(H2,19,20,21).
What are the key properties of 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine?
7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine has a molecular weight of 293.22 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 64983363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).