4-(3,5-difluorophenoxy)quinazolin-7-amine

C14H9F2N3O — CID 65336089

IUPAC4-(3,5-difluorophenoxy)quinazolin-7-amine
SMILESNc1ccc2c(Oc3cc(F)cc(F)c3)ncnc2c1
InChIInChI=1S/C14H9F2N3O/c15-8-3-9(16)5-11(4-8)20-14-12-2-1-10(17)6-13(12)18-7-19-14/h1-7H,17H2
InChIKeyFIDOUMSJNHZLRZ-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.28
Rot. Bonds2

About 4-(3,5-difluorophenoxy)quinazolin-7-amine

4-(3,5-difluorophenoxy)quinazolin-7-amine (PubChem CID 65336089) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)quinazolin-7-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)quinazolin-7-amine
PubChem CID65336089
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name4-(3,5-difluorophenoxy)quinazolin-7-amine
SMILESNc1ccc2c(Oc3cc(F)cc(F)c3)ncnc2c1
InChIInChI=1S/C14H9F2N3O/c15-8-3-9(16)5-11(4-8)20-14-12-2-1-10(17)6-13(12)18-7-19-14/h1-7H,17H2
InChIKeyFIDOUMSJNHZLRZ-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3,5-difluorophenoxy)quinazolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)quinazolin-7-amine?
The IUPAC name of 4-(3,5-difluorophenoxy)quinazolin-7-amine (CID 65336089) is 4-(3,5-difluorophenoxy)quinazolin-7-amine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)quinazolin-7-amine?
The canonical SMILES for 4-(3,5-difluorophenoxy)quinazolin-7-amine is Nc1ccc2c(Oc3cc(F)cc(F)c3)ncnc2c1.
What is the InChIKey of 4-(3,5-difluorophenoxy)quinazolin-7-amine?
The InChIKey is FIDOUMSJNHZLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-8-3-9(16)5-11(4-8)20-14-12-2-1-10(17)6-13(12)18-7-19-14/h1-7H,17H2.
What are the key properties of 4-(3,5-difluorophenoxy)quinazolin-7-amine?
4-(3,5-difluorophenoxy)quinazolin-7-amine has a molecular weight of 273.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)quinazolin-7-amine is sourced from PubChem (CID 65336089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).