N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine

C14H8F3N3 — CID 110434734

IUPACN-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3c(F)cccc23)cc1F
InChIInChI=1S/C14H8F3N3/c15-10-5-4-8(6-12(10)17)20-14-9-2-1-3-11(16)13(9)18-7-19-14/h1-7H,(H,18,19,20)
InChIKeyYBWZESGSTKFZQB-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.79
Rot. Bonds2

About N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine

N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine (PubChem CID 110434734) has the molecular formula C14H8F3N3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
PubChem CID110434734
Molecular FormulaC14H8F3N3
Molecular Weight275.23 g/mol
Exact Mass275.07
IUPAC NameN-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3c(F)cccc23)cc1F
InChIInChI=1S/C14H8F3N3/c15-10-5-4-8(6-12(10)17)20-14-9-2-1-3-11(16)13(9)18-7-19-14/h1-7H,(H,18,19,20)
InChIKeyYBWZESGSTKFZQB-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 110434658
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
7,8-difluoro-N-phenylquinazolin-4-amine
CID 166377180
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 89487428
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532574
4-N-(3,4-difluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153925
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine (CID 110434734) is N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine is Fc1ccc(Nc2ncnc3c(F)cccc23)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine?
The InChIKey is YBWZESGSTKFZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3/c15-10-5-4-8(6-12(10)17)20-14-9-2-1-3-11(16)13(9)18-7-19-14/h1-7H,(H,18,19,20).
What are the key properties of N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine?
N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine has a molecular weight of 275.23 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine is sourced from PubChem (CID 110434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).