7,8-difluoro-N-phenylquinazolin-4-amine

C14H9F2N3 — CID 166377180

IUPAC7,8-difluoro-N-phenylquinazolin-4-amine
SMILESFc1ccc2c(Nc3ccccc3)ncnc2c1F
InChIInChI=1S/C14H9F2N3/c15-11-7-6-10-13(12(11)16)17-8-18-14(10)19-9-4-2-1-3-5-9/h1-8H,(H,17,18,19)
InChIKeyVHMONAGDFOYFIE-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.65
Rot. Bonds2

About 7,8-difluoro-N-phenylquinazolin-4-amine

7,8-difluoro-N-phenylquinazolin-4-amine (PubChem CID 166377180) has the molecular formula C14H9F2N3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 7,8-difluoro-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name7,8-difluoro-N-phenylquinazolin-4-amine
PubChem CID166377180
Molecular FormulaC14H9F2N3
Molecular Weight257.24 g/mol
Exact Mass257.08
IUPAC Name7,8-difluoro-N-phenylquinazolin-4-amine
SMILESFc1ccc2c(Nc3ccccc3)ncnc2c1F
InChIInChI=1S/C14H9F2N3/c15-11-7-6-10-13(12(11)16)17-8-18-14(10)19-9-4-2-1-3-5-9/h1-8H,(H,17,18,19)
InChIKeyVHMONAGDFOYFIE-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434734
7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine
CID 154872583
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
CID 10633767
8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 110434658
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
N,6-diphenylquinazolin-4-amine
CID 86766666
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N-phenylquinazolin-4-amine?
The IUPAC name of 7,8-difluoro-N-phenylquinazolin-4-amine (CID 166377180) is 7,8-difluoro-N-phenylquinazolin-4-amine.
What is the SMILES notation for 7,8-difluoro-N-phenylquinazolin-4-amine?
The canonical SMILES for 7,8-difluoro-N-phenylquinazolin-4-amine is Fc1ccc2c(Nc3ccccc3)ncnc2c1F.
What is the InChIKey of 7,8-difluoro-N-phenylquinazolin-4-amine?
The InChIKey is VHMONAGDFOYFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3/c15-11-7-6-10-13(12(11)16)17-8-18-14(10)19-9-4-2-1-3-5-9/h1-8H,(H,17,18,19).
What are the key properties of 7,8-difluoro-N-phenylquinazolin-4-amine?
7,8-difluoro-N-phenylquinazolin-4-amine has a molecular weight of 257.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N-phenylquinazolin-4-amine is sourced from PubChem (CID 166377180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).