[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine

C14H11ClN4O — CID 80915745

IUPAC[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C14H11ClN4O/c15-10-6-2-4-8-12(10)20-13-9-5-1-3-7-11(9)17-14(18-13)19-16/h1-8H,16H2,(H,17,18,19)
InChIKeyIBLRJKDUQPYHFA-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.36
Rot. Bonds3

About [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine

[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine (PubChem CID 80915745) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine
PubChem CID80915745
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C14H11ClN4O/c15-10-6-2-4-8-12(10)20-13-9-5-1-3-7-11(9)17-14(18-13)19-16/h1-8H,16H2,(H,17,18,19)
InChIKeyIBLRJKDUQPYHFA-UHFFFAOYSA-N
XLogP3.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.36
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-(2-chlorophenoxy)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine (CID 80915745) is [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine is NNc1nc(Oc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine?
The InChIKey is IBLRJKDUQPYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-10-6-2-4-8-12(10)20-13-9-5-1-3-7-11(9)17-14(18-13)19-16/h1-8H,16H2,(H,17,18,19).
What are the key properties of [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine?
[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine has a molecular weight of 286.72 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 80915745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).