4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine

C14H9ClFN3O — CID 64587942

IUPAC4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
SMILESNc1ccc2ncnc(Oc3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C14H9ClFN3O/c15-11-5-8(16)1-4-13(11)20-14-10-6-9(17)2-3-12(10)18-7-19-14/h1-7H,17H2
InChIKeyZEXTXWYITYYVER-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.80
Rot. Bonds2

About 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine

4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine (PubChem CID 64587942) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
PubChem CID64587942
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
SMILESNc1ccc2ncnc(Oc3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C14H9ClFN3O/c15-11-5-8(16)1-4-13(11)20-14-10-6-9(17)2-3-12(10)18-7-19-14/h1-7H,17H2
InChIKeyZEXTXWYITYYVER-UHFFFAOYSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine (CID 64587942) is 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine is Nc1ccc2ncnc(Oc3ccc(F)cc3Cl)c2c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine?
The InChIKey is ZEXTXWYITYYVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-11-5-8(16)1-4-13(11)20-14-10-6-9(17)2-3-12(10)18-7-19-14/h1-7H,17H2.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine?
4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine has a molecular weight of 289.70 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine is sourced from PubChem (CID 64587942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).