[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine

C16H16N4O — CID 80909907

IUPAC[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)nc3ccccc23)cc1C
InChIInChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)21-15-13-5-3-4-6-14(13)18-16(19-15)20-17/h3-9H,17H2,1-2H3,(H,18,19,20)
InChIKeySPXHWTWHNGCWAX-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds3

About [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine

[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine (PubChem CID 80909907) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine
PubChem CID80909907
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)nc3ccccc23)cc1C
InChIInChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)21-15-13-5-3-4-6-14(13)18-16(19-15)20-17/h3-9H,17H2,1-2H3,(H,18,19,20)
InChIKeySPXHWTWHNGCWAX-UHFFFAOYSA-N
XLogP3.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.32
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-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine (CID 80909907) is [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine is Cc1ccc(Oc2nc(NN)nc3ccccc23)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine?
The InChIKey is SPXHWTWHNGCWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-7-8-12(9-11(10)2)21-15-13-5-3-4-6-14(13)18-16(19-15)20-17/h3-9H,17H2,1-2H3,(H,18,19,20).
What are the key properties of [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine?
[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine has a molecular weight of 280.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 80909907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).