[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine

C13H18N4O2 — CID 103491820

IUPAC[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine
SMILESCCOCC(C)Oc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H18N4O2/c1-3-18-8-9(2)19-12-10-6-4-5-7-11(10)15-13(16-12)17-14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16,17)
InChIKeyJKAFNHTXLCOOEI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds6

About [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine

[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine (PubChem CID 103491820) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine
PubChem CID103491820
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine
SMILESCCOCC(C)Oc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H18N4O2/c1-3-18-8-9(2)19-12-10-6-4-5-7-11(10)15-13(16-12)17-14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16,17)
InChIKeyJKAFNHTXLCOOEI-UHFFFAOYSA-N
XLogP1.72
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine (CID 103491820) is [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine is CCOCC(C)Oc1nc(NN)nc2ccccc12.
What is the InChIKey of [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine?
The InChIKey is JKAFNHTXLCOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-18-8-9(2)19-12-10-6-4-5-7-11(10)15-13(16-12)17-14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine?
[4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine has a molecular weight of 262.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxypropan-2-yloxy)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 103491820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).