4-(2-fluorophenoxy)quinazolin-2-amine

C14H10FN3O — CID 80864583

IUPAC4-(2-fluorophenoxy)quinazolin-2-amine
SMILESNc1nc(Oc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C14H10FN3O/c15-10-6-2-4-8-12(10)19-13-9-5-1-3-7-11(9)17-14(16)18-13/h1-8H,(H2,16,17,18)
InChIKeyDIFJOIADZDJTCB-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds2

About 4-(2-fluorophenoxy)quinazolin-2-amine

4-(2-fluorophenoxy)quinazolin-2-amine (PubChem CID 80864583) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)quinazolin-2-amine
PubChem CID80864583
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-(2-fluorophenoxy)quinazolin-2-amine
SMILESNc1nc(Oc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C14H10FN3O/c15-10-6-2-4-8-12(10)19-13-9-5-1-3-7-11(9)17-14(16)18-13/h1-8H,(H2,16,17,18)
InChIKeyDIFJOIADZDJTCB-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)quinazolin-2-amine?
The IUPAC name of 4-(2-fluorophenoxy)quinazolin-2-amine (CID 80864583) is 4-(2-fluorophenoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)quinazolin-2-amine?
The canonical SMILES for 4-(2-fluorophenoxy)quinazolin-2-amine is Nc1nc(Oc2ccccc2F)c2ccccc2n1.
What is the InChIKey of 4-(2-fluorophenoxy)quinazolin-2-amine?
The InChIKey is DIFJOIADZDJTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-6-2-4-8-12(10)19-13-9-5-1-3-7-11(9)17-14(16)18-13/h1-8H,(H2,16,17,18).
What are the key properties of 4-(2-fluorophenoxy)quinazolin-2-amine?
4-(2-fluorophenoxy)quinazolin-2-amine has a molecular weight of 255.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)quinazolin-2-amine is sourced from PubChem (CID 80864583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).