[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine

C14H10ClFN4O — CID 82719515

IUPAC[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(Cl)c(F)c2)c2ccccc2n1
InChIInChI=1S/C14H10ClFN4O/c15-10-6-5-8(7-11(10)16)21-13-9-3-1-2-4-12(9)18-14(19-13)20-17/h1-7H,17H2,(H,18,19,20)
InChIKeyWKGDRJURWKILRB-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.50
Rot. Bonds3

About [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine

[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine (PubChem CID 82719515) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
PubChem CID82719515
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(Cl)c(F)c2)c2ccccc2n1
InChIInChI=1S/C14H10ClFN4O/c15-10-6-5-8(7-11(10)16)21-13-9-3-1-2-4-12(9)18-14(19-13)20-17/h1-7H,17H2,(H,18,19,20)
InChIKeyWKGDRJURWKILRB-UHFFFAOYSA-N
XLogP3.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine (CID 82719515) is [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine is NNc1nc(Oc2ccc(Cl)c(F)c2)c2ccccc2n1.
What is the InChIKey of [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine?
The InChIKey is WKGDRJURWKILRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-10-6-5-8(7-11(10)16)21-13-9-3-1-2-4-12(9)18-14(19-13)20-17/h1-7H,17H2,(H,18,19,20).
What are the key properties of [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine?
[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine has a molecular weight of 304.71 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 82719515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).