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

C14H7F4N3 — CID 79755415

IUPAC7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(F)c(F)c2F)nc2cc(F)ccc12
InChIInChI=1S/C14H7F4N3/c15-6-1-2-7-10(5-6)20-14(21-13(7)19)8-3-4-9(16)12(18)11(8)17/h1-5H,(H2,19,20,21)
InChIKeyAJKNHAXUXZLLBT-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.44
Rot. Bonds1

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

7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine (PubChem CID 79755415) has the molecular formula C14H7F4N3 and a molecular weight of 293.22 g/mol. Its IUPAC name is 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine
PubChem CID79755415
Molecular FormulaC14H7F4N3
Molecular Weight293.22 g/mol
Exact Mass293.06
IUPAC Name7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(F)c(F)c2F)nc2cc(F)ccc12
InChIInChI=1S/C14H7F4N3/c15-6-1-2-7-10(5-6)20-14(21-13(7)19)8-3-4-9(16)12(18)11(8)17/h1-5H,(H2,19,20,21)
InChIKeyAJKNHAXUXZLLBT-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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Related Compounds

4-Aminoquinazoline
CID 84759
Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2,4,6-Triaminoquinazoline
CID 292661
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Importazole
CID 2949965
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine (CID 79755415) is 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine is Nc1nc(-c2ccc(F)c(F)c2F)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine?
The InChIKey is AJKNHAXUXZLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N3/c15-6-1-2-7-10(5-6)20-14(21-13(7)19)8-3-4-9(16)12(18)11(8)17/h1-5H,(H2,19,20,21).
What are the key properties of 7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine?
7-fluoro-2-(2,3,4-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-(2,3,4-trifluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 79755415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).